5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one

C21H17ClN4O — CID 135630023

IUPAC5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCCc2ccccc2)nc2nccc(-c3ccccc3Cl)c12
InChIInChI=1S/C21H17ClN4O/c22-17-9-5-4-8-15(17)16-11-13-23-19-18(16)20(27)26-21(25-19)24-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,23,24,25,26,27)
InChIKeyFZZKGLMIINVQRT-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.29
Rot. Bonds5

About 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one

5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135630023) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135630023
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCCc2ccccc2)nc2nccc(-c3ccccc3Cl)c12
InChIInChI=1S/C21H17ClN4O/c22-17-9-5-4-8-15(17)16-11-13-23-19-18(16)20(27)26-21(25-19)24-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,23,24,25,26,27)
InChIKeyFZZKGLMIINVQRT-UHFFFAOYSA-N
XLogP4.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630025
(9S)-9-phenyl-3-(2-phenylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135881824
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 137235349
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
2-[(1-benzylimidazol-2-yl)methyl]-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 52687055
6-chloro-N-(3-phenylpropyl)-1H-benzimidazol-2-amine
CID 82564399
2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904333
4-chloro-3-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 24903149
2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703021
5-chloro-2-(2-phenylethylamino)pyrimidine-4-carboxylate
CID 2325047
6-(2-chlorophenyl)-1H-pyrimidin-2-one
CID 13362226

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135630023) is 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(NCCc2ccccc2)nc2nccc(-c3ccccc3Cl)c12.
What is the InChIKey of 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FZZKGLMIINVQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-9-5-4-8-15(17)16-11-13-23-19-18(16)20(27)26-21(25-19)24-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H2,23,24,25,26,27).
What are the key properties of 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one?
5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 376.85 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-(2-phenylethylamino)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135630023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).