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

C19H20N4O — CID 5330232

IUPAC2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCC1
InChIInChI=1S/C19H20N4O/c24-17-12-11-14-13-20-19(21-15-7-3-1-4-8-15)22-18(14)23(17)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,20,21,22)
InChIKeyPINSZDSDRFOWQZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.04
Rot. Bonds3

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

2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330232) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330232
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCC1
InChIInChI=1S/C19H20N4O/c24-17-12-11-14-13-20-19(21-15-7-3-1-4-8-15)22-18(14)23(17)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,20,21,22)
InChIKeyPINSZDSDRFOWQZ-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one (CID 5330232) is 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCC1.
What is the InChIKey of 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PINSZDSDRFOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-17-12-11-14-13-20-19(21-15-7-3-1-4-8-15)22-18(14)23(17)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,20,21,22).
What are the key properties of 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 320.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-cyclohexylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).