N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide

C111H134Cl3FN24O6 — CID 158088445

IUPACN-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1Cl.Cc1cc(C)c(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1C.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)c1C.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(Cl)c1.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(F)c1.O=C(Nc1ccccc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/2C20H26N4O.C18H20Cl2N4O.C18H21ClN4O.C18H21FN4O.C17H20N4O/c1-13-9-15(3)17(10-14(13)2)24-20(25)18-11-19(22-12-21-18)23-16-7-5-4-6-8-16;1-13-9-10-17(15(3)14(13)2)24-20(25)18-11-19(22-12-21-18)23-16-7-5-4-6-8-16;1-11-14(19)7-13(8-15(11)20)24-18(25)16-9-17(22-10-21-16)23-12-5-3-2-4-6-12;2*1-12-7-8-15(14(19)9-12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13;22-17(21-14-9-5-2-6-10-14)15-11-16(19-12-18-15)20-13-7-3-1-4-8-13/h2*9-12,16H,4-8H2,1-3H3,(H,24,25)(H,21,22,23);7-10,12H,2-6H2,1H3,(H,24,25)(H,21,22,23);2*7-11,13H,2-6H2,1H3,(H,23,24)(H,20,21,22);2,5-6,9-13H,1,3-4,7-8H2,(H,21,22)(H,18,19,20)
InChIKeyFNUJHHCNWXGMPV-UHFFFAOYSA-N
MW2025.81 g/mol
LogP25.72
Rot. Bonds24

About N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide

N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 158088445) has the molecular formula C111H134Cl3FN24O6 and a molecular weight of 2025.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID158088445
Molecular FormulaC111H134Cl3FN24O6
Molecular Weight2025.81 g/mol
Exact Mass2023.00
IUPAC NameN-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1Cl.Cc1cc(C)c(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1C.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)c1C.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(Cl)c1.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(F)c1.O=C(Nc1ccccc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/2C20H26N4O.C18H20Cl2N4O.C18H21ClN4O.C18H21FN4O.C17H20N4O/c1-13-9-15(3)17(10-14(13)2)24-20(25)18-11-19(22-12-21-18)23-16-7-5-4-6-8-16;1-13-9-10-17(15(3)14(13)2)24-20(25)18-11-19(22-12-21-18)23-16-7-5-4-6-8-16;1-11-14(19)7-13(8-15(11)20)24-18(25)16-9-17(22-10-21-16)23-12-5-3-2-4-6-12;2*1-12-7-8-15(14(19)9-12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13;22-17(21-14-9-5-2-6-10-14)15-11-16(19-12-18-15)20-13-7-3-1-4-8-13/h2*9-12,16H,4-8H2,1-3H3,(H,24,25)(H,21,22,23);7-10,12H,2-6H2,1H3,(H,24,25)(H,21,22,23);2*7-11,13H,2-6H2,1H3,(H,23,24)(H,20,21,22);2,5-6,9-13H,1,3-4,7-8H2,(H,21,22)(H,18,19,20)
InChIKeyFNUJHHCNWXGMPV-UHFFFAOYSA-N
XLogP25.72
TPSA401.46 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002025.81
LogP ≤ 525.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide (CID 158088445) is N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide is Cc1c(Cl)cc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1Cl.Cc1cc(C)c(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1C.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)c1C.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(Cl)c1.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(F)c1.O=C(Nc1ccccc1)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is FNUJHHCNWXGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H26N4O.C18H20Cl2N4O.C18H21ClN4O.C18H21FN4O.C17H20N4O/c1-13-9-15(3)17(10-14(13)2)24-20(25)18-11-19(22-12-21-18)23-16-7-5-4-6-8-16;1-13-9-10-17(15(3)14(13)2)24-20(25)18-11-19(22-12-21-18)23-16-7-5-4-6-8-16;1-11-14(19)7-13(8-15(11)20)24-18(25)16-9-17(22-10-21-16)23-12-5-3-2-4-6-12;2*1-12-7-8-15(14(19)9-12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13;22-17(21-14-9-5-2-6-10-14)15-11-16(19-12-18-15)20-13-7-3-1-4-8-13/h2*9-12,16H,4-8H2,1-3H3,(H,24,25)(H,21,22,23);7-10,12H,2-6H2,1H3,(H,24,25)(H,21,22,23);2*7-11,13H,2-6H2,1H3,(H,23,24)(H,20,21,22);2,5-6,9-13H,1,3-4,7-8H2,(H,21,22)(H,18,19,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide?
N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 2025.81 g/mol, XLogP of 25.72, 24 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158088445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).