CAS 6306-73-6 1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione (HCID 237953)

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Basic information

CAS: 6306-73-6
Standard SMILES: Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O
InChIKey: YNHQGNHVHHZPTA-UHFFFAOYSA-N
Molecular formula: C12H12N2O2
Average molar mass: 216.24 g/mol
Monoisotopic mass: 216.08987762

Names & identifiers

Preferred name: 1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
IUPAC: 1-benzyl-5-methylpyrimidine-2,4-dione
English name: 1-benzyl-5-methyl-pyrimidine-2,4-dione
Molecular formula: C12H12N2O2
Molecular weight: 216.24

Names & synonyms

6306-73-61-Benzyl-5-methyl-1H-pyrimidine-2,4-dioneDTXSID10285487RefChem:228121DTXCID302366381-benzyl-5-methylpyrimidine-2,4(1h,3h)-dione1-benzyl-5-methylpyrimidine-2,4-dione1-benzyl-5-methyl-3H-pyrimidine-2,4-dioneMFCD01469796CHEMBL3651231-benzyl-5-methyl-2,4(1H,3H)-pyrimidinedione1-BENZYL-5-METHYL-PYRIMIDINE-2,4-DIONE

Show more names

1-benzyl-5-methyl-2,4-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(phenylmethyl)-

benzyl-thymineNSC42047Oprea1_731836MLS000533095SCHEMBL3996660SCHEMBL6215097YNHQGNHVHHZPTA-UHFFFAOYSA-N1-benzyl-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Database identifiers

CAS: 6306-73-6
PubChem CID: 237953
DTXSID: DTXSID10285487
ChEMBL: CHEMBL365123
Nikkaji: J823.861H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 330

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501