Basic information
- CAS
17758-52-0- Standard SMILES
Cc1cnc[nH]c1=O- InChIKey
SHLJOANTPJWIHS-UHFFFAOYSA-N- Molecular formula
- C5H6N2O
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.04801281
Names & identifiers
- Preferred name
- 4-Pyrimidinol, 5-methyl-
- IUPAC
- 5-methyl-1H-pyrimidin-6-one
- English name
- 5-Methylpyrimidin-4-ol
- Molecular formula
- C5H6N2O
- Molecular weight
- 110.11
Names & synonyms
17758-52-05-Methyl-4-pyrimidinol4-Pyrimidinol, 5-methyl-DTXSID90170347RefChem:526681DTXCID9092838800-874-04-Hydroxy-5-methylpyrimidine5-methylpyrimidin-4-ol5-methyl-1H-pyrimidin-6-one5-methylpyrimidin-4(3H)-one5-methyl-3H-pyrimidin-4-one
Show more names
5-methyl-4-pyrimidino5-Methyl-4-hydroxypyrimidine4(3H)-Pyrimidinone,5-methyl-5-Methylpyrimidin-4-Ol(WX649072)
MFCD184326321882624-14-7MFCD01646066F1967-08255-Methylpyrimidin-4(1H)-oneNSC6182814-hydroxy-5-methylpyrimidinSCHEMBL312269
Database identifiers
- CAS
17758-52-0- PubChem CID
- 205324
- DTXSID
DTXSID90170347- ChEMBL
CHEMBL1976822- EC Number
- 800-874-0
- Nikkaji
- J90.460K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 153 · 153-154 °C
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.18 · 9.18±0.40(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C5H6N2O/c1-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
- InChIKey
- SHLJOANTPJWIHS-UHFFFAOYSA-N
- SMILES
- C1=NC=C(C)C(=O)N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers57 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Related reactions
1 records
Compound notes
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