5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C20H17N3O2 — CID 135651930

IUPAC5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1cccc(C2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c1
InChIInChI=1S/C20H17N3O2/c1-12-6-5-9-14(10-12)15-11-16(24)21-19-17(15)20(25)23-18(22-19)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,21,22,23,24,25)
InChIKeyBIBIEOQCIHXVSM-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.22
Rot. Bonds2

About 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135651930) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135651930
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1cccc(C2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c1
InChIInChI=1S/C20H17N3O2/c1-12-6-5-9-14(10-12)15-11-16(24)21-19-17(15)20(25)23-18(22-19)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,21,22,23,24,25)
InChIKeyBIBIEOQCIHXVSM-UHFFFAOYSA-N
XLogP3.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135651930) is 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Cc1cccc(C2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c1.
What is the InChIKey of 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BIBIEOQCIHXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-6-5-9-14(10-12)15-11-16(24)21-19-17(15)20(25)23-18(22-19)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 331.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135651930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).