6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C22H28N4O — CID 109364440

IUPAC6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCC2=CCCCC2)cc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C22H28N4O/c1-17-25-20(22(27)24-15-13-19-10-6-3-7-11-19)16-21(26-17)23-14-12-18-8-4-2-5-9-18/h3,6-8,10-11,16H,2,4-5,9,12-15H2,1H3,(H,24,27)(H,23,25,26)
InChIKeySYSHFWGBWMPHCB-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.06
Rot. Bonds8

About 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109364440) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109364440
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCC2=CCCCC2)cc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C22H28N4O/c1-17-25-20(22(27)24-15-13-19-10-6-3-7-11-19)16-21(26-17)23-14-12-18-8-4-2-5-9-18/h3,6-8,10-11,16H,2,4-5,9,12-15H2,1H3,(H,24,27)(H,23,25,26)
InChIKeySYSHFWGBWMPHCB-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-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

N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364552
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364446
6-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364541
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109364575
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109364480
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,6-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109364617
N-[2-(cyclohexen-1-yl)ethyl]-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363774
6-(1,3-benzodioxol-5-ylmethylamino)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364544
N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364455
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109364440) is 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is Cc1nc(NCCC2=CCCCC2)cc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is SYSHFWGBWMPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-25-20(22(27)24-15-13-19-10-6-3-7-11-19)16-21(26-17)23-14-12-18-8-4-2-5-9-18/h3,6-8,10-11,16H,2,4-5,9,12-15H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).