2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C13H12ClN5O — CID 134716735

IUPAC2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1nc(N)c2c(n1)NC(=O)CC2c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN5O/c14-7-3-1-6(2-4-7)8-5-9(20)17-12-10(8)11(15)18-13(16)19-12/h1-4,8H,5H2,(H5,15,16,17,18,19,20)
InChIKeyPZPMVPJOBVBPHY-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.77
Rot. Bonds1

About 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134716735) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID134716735
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1nc(N)c2c(n1)NC(=O)CC2c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN5O/c14-7-3-1-6(2-4-7)8-5-9(20)17-12-10(8)11(15)18-13(16)19-12/h1-4,8H,5H2,(H5,15,16,17,18,19,20)
InChIKeyPZPMVPJOBVBPHY-UHFFFAOYSA-N
XLogP1.77
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 134716735) is 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Nc1nc(N)c2c(n1)NC(=O)CC2c1ccc(Cl)cc1.
What is the InChIKey of 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PZPMVPJOBVBPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-7-3-1-6(2-4-7)8-5-9(20)17-12-10(8)11(15)18-13(16)19-12/h1-4,8H,5H2,(H5,15,16,17,18,19,20).
What are the key properties of 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 289.73 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(4-chlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134716735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).