2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one

C20H16N4O — CID 5328637

IUPAC2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C20H16N4O/c1-24-18-15(12-17(19(24)25)14-8-4-2-5-9-14)13-21-20(23-18)22-16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22,23)
InChIKeyZKZKULAYQWBXQM-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.74
Rot. Bonds3

About 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328637) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328637
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C20H16N4O/c1-24-18-15(12-17(19(24)25)14-8-4-2-5-9-14)13-21-20(23-18)22-16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22,23)
InChIKeyZKZKULAYQWBXQM-UHFFFAOYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one (CID 5328637) is 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZKZKULAYQWBXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-24-18-15(12-17(19(24)25)14-8-4-2-5-9-14)13-21-20(23-18)22-16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22,23).
What are the key properties of 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 328.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).