2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

C24H24N8O — CID 143832673

IUPAC2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=C(/c1c(N)ncnc1NCc1nc2nccc(C)c2c(=O)n1-c1ccccc1C)C1CC1
InChIInChI=1S/C24H24N8O/c1-13-5-3-4-6-16(13)32-17(31-23-18(24(32)33)14(2)9-10-27-23)11-28-22-19(20(25)15-7-8-15)21(26)29-12-30-22/h3-6,9-10,12,15,25H,7-8,11H2,1-2H3,(H3,26,28,29,30)/b25-20+
InChIKeyBPJPQMXMLGYLSL-LKUDQCMESA-N
MW440.51 g/mol
LogP3.16
Rot. Bonds6

About 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 143832673) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID143832673
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILES[H]/N=C(/c1c(N)ncnc1NCc1nc2nccc(C)c2c(=O)n1-c1ccccc1C)C1CC1
InChIInChI=1S/C24H24N8O/c1-13-5-3-4-6-16(13)32-17(31-23-18(24(32)33)14(2)9-10-27-23)11-28-22-19(20(25)15-7-8-15)21(26)29-12-30-22/h3-6,9-10,12,15,25H,7-8,11H2,1-2H3,(H3,26,28,29,30)/b25-20+
InChIKeyBPJPQMXMLGYLSL-LKUDQCMESA-N
XLogP3.16
TPSA135.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

4-amino-6-[[3-(2-fluorophenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]methylamino]pyrimidine-5-carboximidoyl chloride
CID 167021185
3-[[[6-amino-5-(4-methylcyclohexa-1,3-diene-1-carboximidoyl)pyrimidin-4-yl]amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 137483679
6-[[[6-amino-5-(3-fluoro-5-nitrosobenzenecarboximidoyl)pyrimidin-4-yl]amino]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 146419103
3-[[[6-amino-5-(2-amino-1,3-benzothiazole-6-carboximidoyl)pyrimidin-4-yl]amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 137483661
2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 58158205
3-[[[6-amino-5-(3-fluorobenzenecarboximidoyl)pyrimidin-4-yl]amino]methyl]-2-(2-methylphenyl)isoquinolin-1-one
CID 126756134
3-[[[6-amino-5-(2-fluoroethanimidoyl)pyrimidin-4-yl]amino]methyl]-8-methyl-2-phenylisoquinolin-1-one;ethane
CID 144620402
3-[[[6-amino-5-(3-hydroxybenzenecarboximidoyl)pyrimidin-4-yl]amino]methyl]-2-cyclohexyl-8-methylisoquinolin-1-one;ethane
CID 144620422
3-[[[6-amino-5-(1H-pyrazole-4-carboximidoyl)pyrimidin-4-yl]amino]methyl]-8-methyl-2-(2-propan-2-ylphenyl)isoquinolin-1-one
CID 138659626
3-[[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]methyl]-8-fluoro-2-(2-fluorophenyl)isoquinolin-1-one
CID 126756112
3-[[[6-amino-5-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienimidoyl]pyrimidin-4-yl]amino]methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one
CID 144752556
3-[[[6-amino-5-(benzenecarboximidoyl)pyrimidin-4-yl]amino]methyl]-8-methyl-2-[2-(2-morpholin-4-ylethoxy)phenyl]isoquinolin-1-one
CID 126756156

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 143832673) is 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is [H]/N=C(/c1c(N)ncnc1NCc1nc2nccc(C)c2c(=O)n1-c1ccccc1C)C1CC1.
What is the InChIKey of 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is BPJPQMXMLGYLSL-LKUDQCMESA-N. The full InChI is InChI=1S/C24H24N8O/c1-13-5-3-4-6-16(13)32-17(31-23-18(24(32)33)14(2)9-10-27-23)11-28-22-19(20(25)15-7-8-15)21(26)29-12-30-22/h3-6,9-10,12,15,25H,7-8,11H2,1-2H3,(H3,26,28,29,30)/b25-20+.
What are the key properties of 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 440.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-amino-5-(cyclopropanecarboximidoyl)pyrimidin-4-yl]amino]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 143832673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).