3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one

C17H29N3O — CID 104747700

IUPAC3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-4-10-18-16(15-8-6-5-7-9-15)12-20-14(3)19-13(2)11-17(20)21/h11,15-16,18H,4-10,12H2,1-3H3
InChIKeyXSZZHBIHRBMEAR-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.81
Rot. Bonds6

About 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 104747700) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID104747700
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-4-10-18-16(15-8-6-5-7-9-15)12-20-14(3)19-13(2)11-17(20)21/h11,15-16,18H,4-10,12H2,1-3H3
InChIKeyXSZZHBIHRBMEAR-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 104747700) is 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one is CCCNC(Cn1c(C)nc(C)cc1=O)C1CCCCC1.
What is the InChIKey of 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is XSZZHBIHRBMEAR-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)19-13(2)11-17(20)21/h11,15-16,18H,4-10,12H2,1-3H3.
What are the key properties of 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-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 3-[2-cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).