2-Amino-6-methylpyrimidin-4-one

HCID 135402055CAS 3977-29-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(=O)[nH]c(N)n1
InChIKey
KWXIPEYKZKIAKR-UHFFFAOYSA-N
Molecular formula
C5H7N3O
Average molar mass
125.13 g/mol
Monoisotopic mass
125.05891186

Names & identifiers

Preferred name
2-Amino-6-methylpyrimidin-4-one
IUPAC
2-amino-4-methyl-1H-pyrimidin-6-one
English name
2-Amino-6-methyl-4-pyrimidinol
Molecular formula
C5H7N3O
Molecular weight
125.13

Names & synonyms

2-amino-6-methylpyrimidin-4-oneRefChem:8108312-Amino-4-hydroxy-6-methylpyrimidine3977-29-52-Amino-6-methylpyrimidin-4-ol2-amino-6-methylpyrimidin-4(3H)-one6-MethylisocytosineMecytosine2-Amino-6-methyl-4-pyrimidinol2-Amino-6-hydroxy-4-methylpyrimidineSuperacilSuperacyl
Show more names
1n-226366-aMino-2-MethylpyriMidin-4-ol2-Amino-4-hydroxy-4-methylpyrimidineAHLP1n-10718
4-Methylisocytosine2-amino-6-methylpyrimidin-4(1H)-one4(1H)-Pyrimidinone, 2-amino-6-methyl-2-amino-6-methyl-1H-pyrimidin-4-one2-amino-4-methyl-6-hydroxypyrimidineNSC 7893C5H7N3OEINECS 223-612-1

Database identifiers

CAS
3977-29-5
PubChem CID
135402055
DTXSID
DTXSID90192847
ChEMBL
CHEMBL391757
ChEBI
CHEBI:499903
UNII
K7ZA6H32G8
EC Number
223-612-1
Nikkaji
J2.204G

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
67.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
300 °C · >300 °C (lit.)
Boiling point
232.57 °C · 232.57°C (rough estimate)
Density
1.2602 · 1.2602 (rough estimate)
refractive index
1.619 · 1.6190 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Aqueous Base (Sparingly), DMSO (Slightly)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.

Warning

H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 7 reports by companies.；There are 3 notifications provided by 3 of 7 reports by companies with hazard statement code(s).；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 CategoriesSkin Irrit. 2 (42.9%)；Eye Irrit. 2A (42.9%)；STOT SE 3 (28.6%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
UW7362250
hs_code
29335990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: An aminopyrimidine compound having its amino group at position 2 and hydroxy and methyl substituents at positions 4 and 6 respectively.

Related reactions

7 records
New reaction record

Linked notes

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