1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide

C23H29Cl2N5O — CID 23027648

IUPAC1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide
SMILESCc1cc(N(C)C)nc(NC2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CC3)CC2)n1
InChIInChI=1S/C23H29Cl2N5O/c1-14-12-20(30(2)3)29-22(26-14)28-17-7-5-16(6-8-17)27-21(31)23(10-11-23)18-9-4-15(24)13-19(18)25/h4,9,12-13,16-17H,5-8,10-11H2,1-3H3,(H,27,31)(H,26,28,29)
InChIKeySCHYNLNSTOQJEE-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.73
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide

1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 23027648) has the molecular formula C23H29Cl2N5O and a molecular weight of 462.43 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide
PubChem CID23027648
Molecular FormulaC23H29Cl2N5O
Molecular Weight462.43 g/mol
Exact Mass461.17
IUPAC Name1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide
SMILESCc1cc(N(C)C)nc(NC2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CC3)CC2)n1
InChIInChI=1S/C23H29Cl2N5O/c1-14-12-20(30(2)3)29-22(26-14)28-17-7-5-16(6-8-17)27-21(31)23(10-11-23)18-9-4-15(24)13-19(18)25/h4,9,12-13,16-17H,5-8,10-11H2,1-3H3,(H,27,31)(H,26,28,29)
InChIKeySCHYNLNSTOQJEE-UHFFFAOYSA-N
XLogP4.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropyl]-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027060
2-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide;hydrochloride
CID 174489620
5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide
CID 23027786
1-(3,4-difluorophenyl)-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 91038115
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077
4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026713
N-[(4-bromo-2-fluorophenyl)methyl]-4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 23027100
3,4-dichloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026777
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
CID 23027828
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027827
N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 1448350

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide (CID 23027648) is 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide is Cc1cc(N(C)C)nc(NC2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CC3)CC2)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is SCHYNLNSTOQJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N5O/c1-14-12-20(30(2)3)29-22(26-14)28-17-7-5-16(6-8-17)27-21(31)23(10-11-23)18-9-4-15(24)13-19(18)25/h4,9,12-13,16-17H,5-8,10-11H2,1-3H3,(H,27,31)(H,26,28,29).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 23027648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).