2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C17H18N4O3 — CID 135925137

IUPAC2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(Cc2cnc3nc(N)[nH]c(=O)c3c2C)c1
InChIInChI=1S/C17H18N4O3/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-19-15-14(9)16(22)21-17(18)20-15/h4-5,7-8H,6H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyZQYIYEFNQAQFKW-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135925137) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135925137
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(Cc2cnc3nc(N)[nH]c(=O)c3c2C)c1
InChIInChI=1S/C17H18N4O3/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-19-15-14(9)16(22)21-17(18)20-15/h4-5,7-8H,6H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyZQYIYEFNQAQFKW-UHFFFAOYSA-N
XLogP1.82
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135925137) is 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc(OC)c(Cc2cnc3nc(N)[nH]c(=O)c3c2C)c1.
What is the InChIKey of 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZQYIYEFNQAQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-19-15-14(9)16(22)21-17(18)20-15/h4-5,7-8H,6H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 326.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135925137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).