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

C18H18N4O — CID 5330231

IUPAC2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1
InChIInChI=1S/C18H18N4O/c23-16-11-10-13-12-19-18(20-14-6-2-1-3-7-14)21-17(13)22(16)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,19,20,21)
InChIKeyOZMNMGRHACMSBT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.65
Rot. Bonds3

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

2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330231) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330231
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1
InChIInChI=1S/C18H18N4O/c23-16-11-10-13-12-19-18(20-14-6-2-1-3-7-14)21-17(13)22(16)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,19,20,21)
InChIKeyOZMNMGRHACMSBT-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (CID 5330231) is 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1.
What is the InChIKey of 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OZMNMGRHACMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-16-11-10-13-12-19-18(20-14-6-2-1-3-7-14)21-17(13)22(16)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,19,20,21).
What are the key properties of 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 306.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).