8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one

C17H24N4O — CID 90048879

IUPAC8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C)c(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C17H24N4O/c1-4-18-17-19-12(3)14-10-11(2)16(22)21(15(14)20-17)13-8-6-5-7-9-13/h10,13H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyFDQCBLOQMHXUQD-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.35
Rot. Bonds3

About 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one

8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 90048879) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID90048879
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C)c(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C17H24N4O/c1-4-18-17-19-12(3)14-10-11(2)16(22)21(15(14)20-17)13-8-6-5-7-9-13/h10,13H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyFDQCBLOQMHXUQD-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one (CID 90048879) is 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(C)c(=O)n(C3CCCCC3)c2n1.
What is the InChIKey of 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FDQCBLOQMHXUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-18-17-19-12(3)14-10-11(2)16(22)21(15(14)20-17)13-8-6-5-7-9-13/h10,13H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 300.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-(ethylamino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90048879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).