N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide

C23H29Cl2N5O — CID 142677827

IUPACN-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
SMILESCc1cnc(NC2CCC(N(C(=O)C3CC3)c3ccc(Cl)c(Cl)c3)CC2)nc1N(C)C
InChIInChI=1S/C23H29Cl2N5O/c1-14-13-26-23(28-21(14)29(2)3)27-16-6-8-17(9-7-16)30(22(31)15-4-5-15)18-10-11-19(24)20(25)12-18/h10-13,15-17H,4-9H2,1-3H3,(H,26,27,28)
InChIKeyCMPVSVJIZQBNPM-UHFFFAOYSA-N
MW462.43 g/mol
LogP5.32
Rot. Bonds6

About N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide

N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide (PubChem CID 142677827) has the molecular formula C23H29Cl2N5O and a molecular weight of 462.43 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
PubChem CID142677827
Molecular FormulaC23H29Cl2N5O
Molecular Weight462.43 g/mol
Exact Mass461.17
IUPAC NameN-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
SMILESCc1cnc(NC2CCC(N(C(=O)C3CC3)c3ccc(Cl)c(Cl)c3)CC2)nc1N(C)C
InChIInChI=1S/C23H29Cl2N5O/c1-14-13-26-23(28-21(14)29(2)3)27-16-6-8-17(9-7-16)30(22(31)15-4-5-15)18-10-11-19(24)20(25)12-18/h10-13,15-17H,4-9H2,1-3H3,(H,26,27,28)
InChIKeyCMPVSVJIZQBNPM-UHFFFAOYSA-N
XLogP5.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 23026586
2-(4-chlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23027623
1-(3,5-dichlorophenyl)-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027298
2-(3,4-difluoro-N-methylanilino)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026600
4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23027283
1-[1-(4-chlorophenyl)cyclopropyl]-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 23027849
3,4-dichloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 23026897
N-[[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]methyl]-2,2,2-trifluoro-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 87996448
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 87996432
2-chloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 174488816
N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
CID 87995828
bis(2,2,2-trifluoroacetic acid);4-N,4-N,5-trimethyl-2-N-[4-[[3-(trifluoromethyl)phenyl]methylamino]cyclohexyl]pyrimidine-2,4-diamine
CID 87995758

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide (CID 142677827) is N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide is Cc1cnc(NC2CCC(N(C(=O)C3CC3)c3ccc(Cl)c(Cl)c3)CC2)nc1N(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is CMPVSVJIZQBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N5O/c1-14-13-26-23(28-21(14)29(2)3)27-16-6-8-17(9-7-16)30(22(31)15-4-5-15)18-10-11-19(24)20(25)12-18/h10-13,15-17H,4-9H2,1-3H3,(H,26,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 462.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 142677827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).