2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one

C14H12N4O — CID 5330224

IUPAC2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C14H12N4O/c1-18-12(19)8-7-10-9-15-14(17-13(10)18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,17)
InChIKeyOFBWCQATNOQYNA-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.07
Rot. Bonds2

About 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330224) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330224
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C14H12N4O/c1-18-12(19)8-7-10-9-15-14(17-13(10)18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,17)
InChIKeyOFBWCQATNOQYNA-UHFFFAOYSA-N
XLogP2.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5330224) is 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OFBWCQATNOQYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-18-12(19)8-7-10-9-15-14(17-13(10)18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,17).
What are the key properties of 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 252.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).