4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one

C17H17N3O — CID 892045

IUPAC4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)nc2[nH]c(C(C)C)cc(=O)c12
InChIInChI=1S/C17H17N3O/c1-10(2)13-9-14(21)15-11(3)18-16(20-17(15)19-13)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19,20,21)
InChIKeyIAFCKUOZVRQDJL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.42
Rot. Bonds2

About 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one

4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 892045) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID892045
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)nc2[nH]c(C(C)C)cc(=O)c12
InChIInChI=1S/C17H17N3O/c1-10(2)13-9-14(21)15-11(3)18-16(20-17(15)19-13)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19,20,21)
InChIKeyIAFCKUOZVRQDJL-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 892045) is 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one is Cc1nc(-c2ccccc2)nc2[nH]c(C(C)C)cc(=O)c12.
What is the InChIKey of 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is IAFCKUOZVRQDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10(2)13-9-14(21)15-11(3)18-16(20-17(15)19-13)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19,20,21).
What are the key properties of 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 279.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-7-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 892045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).