6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C16H15BrN4O2 — CID 167185234

IUPAC6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(CNc2nc3nc(C)[nH]c(=O)c3cc2Br)cc1
InChIInChI=1S/C16H15BrN4O2/c1-9-19-14-12(16(22)20-9)7-13(17)15(21-14)18-8-10-3-5-11(23-2)6-4-10/h3-7H,8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyOCOGGTNZZQEKPC-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.01
Rot. Bonds4

About 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 167185234) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID167185234
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(CNc2nc3nc(C)[nH]c(=O)c3cc2Br)cc1
InChIInChI=1S/C16H15BrN4O2/c1-9-19-14-12(16(22)20-9)7-13(17)15(21-14)18-8-10-3-5-11(23-2)6-4-10/h3-7H,8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyOCOGGTNZZQEKPC-UHFFFAOYSA-N
XLogP3.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 167185234) is 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc(CNc2nc3nc(C)[nH]c(=O)c3cc2Br)cc1.
What is the InChIKey of 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OCOGGTNZZQEKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-9-19-14-12(16(22)20-9)7-13(17)15(21-14)18-8-10-3-5-11(23-2)6-4-10/h3-7H,8H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 375.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167185234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).