7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one

C15H14N4O — CID 151454047

IUPAC7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(C)ncc12
InChIInChI=1S/C15H14N4O/c1-10-8-13-12(9-17-10)14(16-2)18-15(20)19(13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18,20)
InChIKeyPHBRFYGBIAFSMM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.13
Rot. Bonds2

About 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one

7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one (PubChem CID 151454047) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one
PubChem CID151454047
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(C)ncc12
InChIInChI=1S/C15H14N4O/c1-10-8-13-12(9-17-10)14(16-2)18-15(20)19(13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18,20)
InChIKeyPHBRFYGBIAFSMM-UHFFFAOYSA-N
XLogP2.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one (CID 151454047) is 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one is CNc1nc(=O)n(-c2ccccc2)c2cc(C)ncc12.
What is the InChIKey of 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one?
The InChIKey is PHBRFYGBIAFSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-8-13-12(9-17-10)14(16-2)18-15(20)19(13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18,20).
What are the key properties of 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one?
7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 151454047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).