8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one

C19H26N4O — CID 18375181

IUPAC8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCCCC3)nc2n1C1CCCCC1
InChIInChI=1S/C19H26N4O/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/h11-13,15-16H,1-10H2,(H,20,21,22)
InChIKeyBFMAYWQMWYRCBV-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.04
Rot. Bonds3

About 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one

8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375181) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375181
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCCCC3)nc2n1C1CCCCC1
InChIInChI=1S/C19H26N4O/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/h11-13,15-16H,1-10H2,(H,20,21,22)
InChIKeyBFMAYWQMWYRCBV-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 ≤ 500326.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one (CID 18375181) is 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NC3CCCCC3)nc2n1C1CCCCC1.
What is the InChIKey of 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BFMAYWQMWYRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/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/h11-13,15-16H,1-10H2,(H,20,21,22).
What are the key properties of 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 326.44 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 8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).