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

C17H29N3O — CID 104747034

IUPAC1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCCCNC(Cn1c(C)cc(C)nc1=O)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-4-10-18-16(15-8-6-5-7-9-15)12-20-14(3)11-13(2)19-17(20)21/h11,15-16,18H,4-10,12H2,1-3H3
InChIKeyIEKMZTJQCUJLJI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.81
Rot. Bonds6

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

1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 104747034) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID104747034
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCCCNC(Cn1c(C)cc(C)nc1=O)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-4-10-18-16(15-8-6-5-7-9-15)12-20-14(3)11-13(2)19-17(20)21/h11,15-16,18H,4-10,12H2,1-3H3
InChIKeyIEKMZTJQCUJLJI-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747038
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913802
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
CID 104748080
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048630
1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 113448371
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one (CID 104747034) is 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one is CCCNC(Cn1c(C)cc(C)nc1=O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is IEKMZTJQCUJLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-18-16(15-8-6-5-7-9-15)12-20-14(3)11-13(2)19-17(20)21/h11,15-16,18H,4-10,12H2,1-3H3.
What are the key properties of 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 291.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 104747034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).