1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one

C16H27N3O — CID 104747038

IUPAC1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCCCNC(Cn1c(C)cc(C)nc1=O)C1CCCC1
InChIInChI=1S/C16H27N3O/c1-4-9-17-15(14-7-5-6-8-14)11-19-13(3)10-12(2)18-16(19)20/h10,14-15,17H,4-9,11H2,1-3H3
InChIKeyYLLGAMRWRJKTDD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 104747038) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID104747038
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCCCNC(Cn1c(C)cc(C)nc1=O)C1CCCC1
InChIInChI=1S/C16H27N3O/c1-4-9-17-15(14-7-5-6-8-14)11-19-13(3)10-12(2)18-16(19)20/h10,14-15,17H,4-9,11H2,1-3H3
InChIKeyYLLGAMRWRJKTDD-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747034
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913802
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 113448371
N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
CID 104748080
N-(1-cyclopentyl-2-indazol-1-ylethyl)propan-1-amine
CID 104747505
1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
CID 63914624
N-[1-cyclopentyl-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747735
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one (CID 104747038) is 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one is CCCNC(Cn1c(C)cc(C)nc1=O)C1CCCC1.
What is the InChIKey of 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is YLLGAMRWRJKTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-17-15(14-7-5-6-8-14)11-19-13(3)10-12(2)18-16(19)20/h10,14-15,17H,4-9,11H2,1-3H3.
What are the key properties of 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 277.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 104747038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).