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

C17H22N4O — CID 22595679

IUPAC2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCC2CCCC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C17H22N4O/c1-21-16(22)12-15(14-7-9-18-10-8-14)20-17(21)19-11-6-13-4-2-3-5-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,20)
InChIKeySIZQBTQHFHEAMH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.83
Rot. Bonds5

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

2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 22595679) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID22595679
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCC2CCCC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C17H22N4O/c1-21-16(22)12-15(14-7-9-18-10-8-14)20-17(21)19-11-6-13-4-2-3-5-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,20)
InChIKeySIZQBTQHFHEAMH-UHFFFAOYSA-N
XLogP2.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 22595679) is 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCCC2CCCC2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is SIZQBTQHFHEAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-16(22)12-15(14-7-9-18-10-8-14)20-17(21)19-11-6-13-4-2-3-5-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 298.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 22595679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).