Basic information
- CAS
56621-89-7- Standard SMILES
COc1ncc(N)cn1- InChIKey
HKHRENFWPKWVML-UHFFFAOYSA-N- Molecular formula
- C5H7N3O
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.05891186
Names & identifiers
- Preferred name
- 2-Methoxypyrimidin-5-amine
- IUPAC
- 2-methoxypyrimidin-5-amine
- English name
- 2-Methoxypyrimidin-5-amine
- Molecular formula
- C5H7N3O
- Molecular weight
- 125.13
Names & synonyms
2-methoxypyrimidin-5-amine56621-89-75-Amino-2-methoxypyrimidineMFCD082348785-PYRIMIDINAMINE, 2-METHOXY-NSC5287292-methoxypyrimidine-5-amineSCHEMBL115475DTXSID203264762-methoxy-5-pyrimidinamineAMY15645BCP22071
Show more names
5-Pyrimidinamine, 2-methoxy5-Pyrimidinamine, 2-methoxy- (9CI)2-Methoxypyrimidin-5-amine ISO 9001：2015 REACH2-Methoxypyrimidin-5-amine, 5-Amino-2-methoxy-1,3-diazine
2-methoxypyrimidine-5-ylamineSCHEMBL4056682CS-D161CS-D1615SBB0519542-METHOXY-PYRIMIDIN-5-YLAMINEAKOS010387989AB43671
Database identifiers
- CAS
56621-89-7- PubChem CID
- 352904
- DTXSID
DTXSID20326476- EC Number
- 639-355-7
- Nikkaji
- J3.759.373G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80
Physicochemical properties
- Melting point
- 119 · 119-120 °C(Solv: benzene (71-43-2))
- Boiling point
- 294.4 · 294.4±32.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.49 · 2.49±0.22(Predicted)
- Appearance
- Yellow to brown Solid
- InChI
- InChI=1S/C5H7N3O/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
- InChIKey
- HKHRENFWPKWVML-UHFFFAOYSA-N
- SMILES
- C1(OC)=NC=C(N)C=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers75 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
8 records
Compound notes
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