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

C16H17N5O — CID 135925122

IUPAC2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=c1\cc(-c2cccc(CC)c2)c2c(=O)[nH]c(N)nc2n1C
InChIInChI=1S/C16H17N5O/c1-3-9-5-4-6-10(7-9)11-8-12(17)21(2)14-13(11)15(22)20-16(18)19-14/h4-8,17H,3H2,1-2H3,(H3,18,19,20,22)/b17-12+
InChIKeyAYNIFGCTWJJRKU-SFQUDFHCSA-N
MW295.35 g/mol
LogP1.55
Rot. Bonds2

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

2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135925122) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135925122
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=c1\cc(-c2cccc(CC)c2)c2c(=O)[nH]c(N)nc2n1C
InChIInChI=1S/C16H17N5O/c1-3-9-5-4-6-10(7-9)11-8-12(17)21(2)14-13(11)15(22)20-16(18)19-14/h4-8,17H,3H2,1-2H3,(H3,18,19,20,22)/b17-12+
InChIKeyAYNIFGCTWJJRKU-SFQUDFHCSA-N
XLogP1.55
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135925122) is 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is [H]/N=c1\cc(-c2cccc(CC)c2)c2c(=O)[nH]c(N)nc2n1C.
What is the InChIKey of 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AYNIFGCTWJJRKU-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-9-5-4-6-10(7-9)11-8-12(17)21(2)14-13(11)15(22)20-16(18)19-14/h4-8,17H,3H2,1-2H3,(H3,18,19,20,22)/b17-12+.
What are the key properties of 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 295.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-ethylphenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135925122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).