2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide

C20H29N5O2 — CID 109323382

IUPAC2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(C)cc(C(=O)NCCC3=CCCCC3)n2)CC1
InChIInChI=1S/C20H29N5O2/c1-15-14-18(19(27)21-9-8-17-6-4-3-5-7-17)23-20(22-15)25-12-10-24(11-13-25)16(2)26/h6,14H,3-5,7-13H2,1-2H3,(H,21,27)
InChIKeyABDGIAFQHDRSKF-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.07
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide

2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109323382) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109323382
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(C)cc(C(=O)NCCC3=CCCCC3)n2)CC1
InChIInChI=1S/C20H29N5O2/c1-15-14-18(19(27)21-9-8-17-6-4-3-5-7-17)23-20(22-15)25-12-10-24(11-13-25)16(2)26/h6,14H,3-5,7-13H2,1-2H3,(H,21,27)
InChIKeyABDGIAFQHDRSKF-UHFFFAOYSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide 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

1-[4-[4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112911054
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109323431
ethyl 4-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 109299504
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318871
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323416
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109323436
2-(4-acetylpiperazin-1-yl)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319468
2-anilino-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323426
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299498
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109323433

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109323382) is 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide is CC(=O)N1CCN(c2nc(C)cc(C(=O)NCCC3=CCCCC3)n2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is ABDGIAFQHDRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-14-18(19(27)21-9-8-17-6-4-3-5-7-17)23-20(22-15)25-12-10-24(11-13-25)16(2)26/h6,14H,3-5,7-13H2,1-2H3,(H,21,27).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).