2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide

C27H32N4O2 — CID 59421319

IUPAC2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-18-8-17-28-26(32)24-19-29-27(30-23-11-6-3-7-12-23)31-25(24)22-15-13-21(14-16-22)20-9-4-2-5-10-20/h2,4-5,9-10,13-16,19,23H,3,6-8,11-12,17-18H2,1H3,(H,28,32)(H,29,30,31)
InChIKeyKTPXEASEXLMAMJ-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.32
Rot. Bonds9

About 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide

2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide (PubChem CID 59421319) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
PubChem CID59421319
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-18-8-17-28-26(32)24-19-29-27(30-23-11-6-3-7-12-23)31-25(24)22-15-13-21(14-16-22)20-9-4-2-5-10-20/h2,4-5,9-10,13-16,19,23H,3,6-8,11-12,17-18H2,1H3,(H,28,32)(H,29,30,31)
InChIKeyKTPXEASEXLMAMJ-UHFFFAOYSA-N
XLogP5.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-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

2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
2-(4-acetylpiperazin-1-yl)-N-(3-methoxypropyl)-4-(3-methylphenyl)pyrimidine-5-carboxamide
CID 59421345
4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 42882431
N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4317033
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide (CID 59421319) is 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide?
The InChIKey is KTPXEASEXLMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-33-18-8-17-28-26(32)24-19-29-27(30-23-11-6-3-7-12-23)31-25(24)22-15-13-21(14-16-22)20-9-4-2-5-10-20/h2,4-5,9-10,13-16,19,23H,3,6-8,11-12,17-18H2,1H3,(H,28,32)(H,29,30,31).
What are the key properties of 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide?
2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 59421319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).