N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide

C30H33Cl2FN4O — CID 91291757

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCC1CCC(Nc2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c(C3(c4ccc(F)cc4)CCCC3)n2)CC1
InChIInChI=1S/C30H33Cl2FN4O/c1-19-4-12-24(13-5-19)36-29-35-18-25(28(38)34-17-20-6-9-22(31)16-26(20)32)27(37-29)30(14-2-3-15-30)21-7-10-23(33)11-8-21/h6-11,16,18-19,24H,2-5,12-15,17H2,1H3,(H,34,38)(H,35,36,37)
InChIKeyUBIUEZLAXTWBTN-UHFFFAOYSA-N
MW555.53 g/mol
LogP7.70
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 91291757) has the molecular formula C30H33Cl2FN4O and a molecular weight of 555.53 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID91291757
Molecular FormulaC30H33Cl2FN4O
Molecular Weight555.53 g/mol
Exact Mass554.20
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCC1CCC(Nc2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c(C3(c4ccc(F)cc4)CCCC3)n2)CC1
InChIInChI=1S/C30H33Cl2FN4O/c1-19-4-12-24(13-5-19)36-29-35-18-25(28(38)34-17-20-6-9-22(31)16-26(20)32)27(37-29)30(14-2-3-15-30)21-7-10-23(33)11-8-21/h6-11,16,18-19,24H,2-5,12-15,17H2,1H3,(H,34,38)(H,35,36,37)
InChIKeyUBIUEZLAXTWBTN-UHFFFAOYSA-N
XLogP7.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.53
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]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

N-[(2,4-difluorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 90722722
4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxamide
CID 91199087
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11692158
4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 91596372
4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 91258205
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11627381
3,4-dihydro-1H-isoquinolin-2-yl-[4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]methanone
CID 11713240
N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 90910419
N-[(3,4-dichlorophenyl)methyl]-2-[2-(dimethylamino)ethylamino]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 91490552
N-[(2,4-difluorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 90887212
4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81227233
N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 90392492

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide (CID 91291757) is N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide is CC1CCC(Nc2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c(C3(c4ccc(F)cc4)CCCC3)n2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is UBIUEZLAXTWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33Cl2FN4O/c1-19-4-12-24(13-5-19)36-29-35-18-25(28(38)34-17-20-6-9-22(31)16-26(20)32)27(37-29)30(14-2-3-15-30)21-7-10-23(33)11-8-21/h6-11,16,18-19,24H,2-5,12-15,17H2,1H3,(H,34,38)(H,35,36,37).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 555.53 g/mol, XLogP of 7.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 91291757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).