2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C18H24N4O — CID 22595681

IUPAC2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCC2CCCCC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H24N4O/c1-22-17(23)13-16(15-8-10-19-11-9-15)21-18(22)20-12-7-14-5-3-2-4-6-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,21)
InChIKeyXDYBZOOSABMLKX-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 22595681) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID22595681
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCC2CCCCC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H24N4O/c1-22-17(23)13-16(15-8-10-19-11-9-15)21-18(22)20-12-7-14-5-3-2-4-6-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,21)
InChIKeyXDYBZOOSABMLKX-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 22595681) is 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCCC2CCCCC2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is XDYBZOOSABMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-22-17(23)13-16(15-8-10-19-11-9-15)21-18(22)20-12-7-14-5-3-2-4-6-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,21).
What are the key properties of 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 312.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 22595681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).