2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C17H19N5O4 — CID 135800599

IUPAC2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=c1\cc(-c2cc(OC)c(OC)c(OC)c2)c2c(=O)[nH]c(N)nc2n1C
InChIInChI=1S/C17H19N5O4/c1-22-12(18)7-9(13-15(22)20-17(19)21-16(13)23)8-5-10(24-2)14(26-4)11(6-8)25-3/h5-7,18H,1-4H3,(H3,19,20,21,23)/b18-12+
InChIKeyCZMVTLWSAXQSNU-LDADJPATSA-N
MW357.37 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135800599) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135800599
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=c1\cc(-c2cc(OC)c(OC)c(OC)c2)c2c(=O)[nH]c(N)nc2n1C
InChIInChI=1S/C17H19N5O4/c1-22-12(18)7-9(13-15(22)20-17(19)21-16(13)23)8-5-10(24-2)14(26-4)11(6-8)25-3/h5-7,18H,1-4H3,(H3,19,20,21,23)/b18-12+
InChIKeyCZMVTLWSAXQSNU-LDADJPATSA-N
XLogP1.02
TPSA128.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135800599) is 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is [H]/N=c1\cc(-c2cc(OC)c(OC)c(OC)c2)c2c(=O)[nH]c(N)nc2n1C.
What is the InChIKey of 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CZMVTLWSAXQSNU-LDADJPATSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-22-12(18)7-9(13-15(22)20-17(19)21-16(13)23)8-5-10(24-2)14(26-4)11(6-8)25-3/h5-7,18H,1-4H3,(H3,19,20,21,23)/b18-12+.
What are the key properties of 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 357.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-imino-8-methyl-5-(3,4,5-trimethoxyphenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135800599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).