3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one

C14H23N3O — CID 104747718

IUPAC3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one
SMILESCCCNC(Cn1cnccc1=O)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-2-8-16-13(12-5-3-4-6-12)10-17-11-15-9-7-14(17)18/h7,9,11-13,16H,2-6,8,10H2,1H3
InChIKeyPKOBDGBFNIWBGE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds6

About 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one

3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one (PubChem CID 104747718) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one
PubChem CID104747718
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one
SMILESCCCNC(Cn1cnccc1=O)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-2-8-16-13(12-5-3-4-6-12)10-17-11-15-9-7-14(17)18/h7,9,11-13,16H,2-6,8,10H2,1H3
InChIKeyPKOBDGBFNIWBGE-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
3-(2-Cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156222
3-[2-(5-Methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 55236850
6-Methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 62562375
6-Methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
CID 62563250
6-Methyl-3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
CID 62563254
6-Methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
CID 62564457
3-[2-(Cyclopentylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564458
3-[5-(Methylamino)hexyl]pyrimidin-4-one
CID 63768132
3-[2-(Ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one
CID 63768301
3-[2-(Ethylamino)pentyl]pyrimidin-4-one
CID 63768305
3-[2-(Methylamino)pentyl]pyrimidin-4-one
CID 63768306

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one (CID 104747718) is 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one is CCCNC(Cn1cnccc1=O)C1CCCC1.
What is the InChIKey of 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one?
The InChIKey is PKOBDGBFNIWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-8-16-13(12-5-3-4-6-12)10-17-11-15-9-7-14(17)18/h7,9,11-13,16H,2-6,8,10H2,1H3.
What are the key properties of 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one?
3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 104747718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).