1-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethanol

HCID 323915

Notes Reactions

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Basic information

CAS: 67412-32-2
Standard SMILES: CC(O)c1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChIKey: VMTXSFLRFPNZIM-UHFFFAOYSA-N
Molecular formula: C12H13ClN4O
Average molar mass: 264.71 g/mol
Monoisotopic mass: 264.0777887

Names & identifiers

Preferred name: 1-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethanol
IUPAC: 1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethanol

Names & synonyms

67412-32-21-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethanolNSC287097CHEMBL3272929SCHEMBL11818733DTXSID00314674VMTXSFLRFPNZIM-UHFFFAOYSA-N1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethan-1-olNSC-287097(+/-)-2,6-diamino-5-(p-chlorophenyl)-alpha-methyl-4-pyrimidine methanol

Database identifiers

CAS: 67412-32-2
PubChem CID: 323915
DTXSID: DTXSID00314674
ChEMBL: CHEMBL3272929
Nikkaji: J621.154B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 98.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 273

Related reactions

1 records

New reaction record

HRID 1578929As reactantuspto-grants-1976_02

Compound notes

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