3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one

C20H33N5O — CID 70703338

IUPAC3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1
InChIInChI=1S/C20H33N5O/c1-16-21-18(23(2)3)15-19(22-16)24-11-13-25(14-12-24)20(26)10-9-17-7-5-4-6-8-17/h15,17H,4-14H2,1-3H3
InChIKeyJROWYOQCSCUSQZ-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.86
Rot. Bonds5

About 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 70703338) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID70703338
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1
InChIInChI=1S/C20H33N5O/c1-16-21-18(23(2)3)15-19(22-16)24-11-13-25(14-12-24)20(26)10-9-17-7-5-4-6-8-17/h15,17H,4-14H2,1-3H3
InChIKeyJROWYOQCSCUSQZ-UHFFFAOYSA-N
XLogP2.86
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56699807
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 122340355
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122340386
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122340192
3-cyclohexyl-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121090195
3-cyclopentyl-1-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 133489407
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122340264
3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 5298372
3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122348357
3-[2-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122340282
3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122293845

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 70703338) is 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one is Cc1nc(N(C)C)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1.
What is the InChIKey of 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is JROWYOQCSCUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-16-21-18(23(2)3)15-19(22-16)24-11-13-25(14-12-24)20(26)10-9-17-7-5-4-6-8-17/h15,17H,4-14H2,1-3H3.
What are the key properties of 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 359.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70703338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).