cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine

C62H53Cl3F12N14O4S2 — CID 160922957

IUPACcis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3nc(C)c(F)c(N[C@@H]4CCC[C@H](N)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3nc(C)c(F)c(N[C@@H]4CCC[C@H](Nc5cc(C(F)(F)F)nc(Cl)n5)C4)n3)c3cc(F)cc(F)c32)cc1.FC(F)(F)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C31H26ClF6N7O2S.C26H26F3N5O2S.C5HCl2F3N2/c1-15-6-8-20(9-7-15)48(46,47)45-14-22(21-10-17(33)11-23(34)27(21)45)28-39-16(2)26(35)29(44-28)41-19-5-3-4-18(12-19)40-25-13-24(31(36,37)38)42-30(32)43-25;1-14-6-8-19(9-7-14)37(35,36)34-13-21(20-10-16(27)11-22(28)24(20)34)25-31-15(2)23(29)26(33-25)32-18-5-3-4-17(30)12-18;6-3-1-2(5(8,9)10)11-4(7)12-3/h6-11,13-14,18-19H,3-5,12H2,1-2H3,(H,39,41,44)(H,40,42,43);6-11,13,17-18H,3-5,12,30H2,1-2H3,(H,31,32,33);1H/t18-,19+;17-,18+;/m00./s1
InChIKeySSGPRXDNHFTYPX-KEQLDRSISA-N
MW1456.67 g/mol
LogP15.52
Rot. Bonds12

About cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine

cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine (PubChem CID 160922957) has the molecular formula C62H53Cl3F12N14O4S2 and a molecular weight of 1456.67 g/mol. Its IUPAC name is cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Namecis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine
PubChem CID160922957
Molecular FormulaC62H53Cl3F12N14O4S2
Molecular Weight1456.67 g/mol
Exact Mass1454.27
IUPAC Namecis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3nc(C)c(F)c(N[C@@H]4CCC[C@H](N)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3nc(C)c(F)c(N[C@@H]4CCC[C@H](Nc5cc(C(F)(F)F)nc(Cl)n5)C4)n3)c3cc(F)cc(F)c32)cc1.FC(F)(F)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C31H26ClF6N7O2S.C26H26F3N5O2S.C5HCl2F3N2/c1-15-6-8-20(9-7-15)48(46,47)45-14-22(21-10-17(33)11-23(34)27(21)45)28-39-16(2)26(35)29(44-28)41-19-5-3-4-18(12-19)40-25-13-24(31(36,37)38)42-30(32)43-25;1-14-6-8-19(9-7-14)37(35,36)34-13-21(20-10-16(27)11-22(28)24(20)34)25-31-15(2)23(29)26(33-25)32-18-5-3-4-17(30)12-18;6-3-1-2(5(8,9)10)11-4(7)12-3/h6-11,13-14,18-19H,3-5,12H2,1-2H3,(H,39,41,44)(H,40,42,43);6-11,13,17-18H,3-5,12,30H2,1-2H3,(H,31,32,33);1H/t18-,19+;17-,18+;/m00./s1
InChIKeySSGPRXDNHFTYPX-KEQLDRSISA-N
XLogP15.52
TPSA243.37 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001456.67
LogP ≤ 515.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine 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

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 155933343
2-[1-(6-Chloropyridin-3-yl)ethylamino]-4-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 59414566
(R)-(1-(6-chloropyridin-3-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile
CID 86643592
2-[5-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 117624059
(+/-)-N1-(5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-yl)-5,5-difluorocyclohexane-1,3-diamine
CID 118025384
cis-(1R,3S)-1-N-[4-[1-(benzenesulfonyl)-2-methylindol-3-yl]-5-chloropyrimidin-2-yl]cyclohexane-1,3-diamine;trifluoromethanesulfonic acid
CID 122514612
cis-(1S,3R)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine
CID 129181782
cis-(1R,3S)-3-N-(2-chloro-6-methylpyrimidin-4-yl)-1-N-[5-fluoro-6-methyl-2-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]pyrimidin-4-yl]cyclohexane-1,3-diamine
CID 130270351
cis-(1R,3S)-3-N-(2-chloropyrimidin-4-yl)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]cyclohexane-1,3-diamine
CID 130270366
3-[4-[[(1R,3S)-3-[(2-chloropyrimidin-4-yl)amino]cyclohexyl]amino]-5-fluoropyrimidin-2-yl]-7-fluoro-1-(4-methylphenyl)sulfonylindole-5-carbonitrile
CID 130270454
cis-(1S,3R)-1-N-(4-chloro-6-methylpyrimidin-2-yl)-3-N-[5-fluoro-6-methyl-2-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]pyrimidin-4-yl]cyclohexane-1,3-diamine
CID 130270491
N-(2-bicyclo[2.2.2]octanyl)-2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
CID 134263791

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine (CID 160922957) is cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine is Cc1ccc(S(=O)(=O)n2cc(-c3nc(C)c(F)c(N[C@@H]4CCC[C@H](N)C4)n3)c3cc(F)cc(F)c32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3nc(C)c(F)c(N[C@@H]4CCC[C@H](Nc5cc(C(F)(F)F)nc(Cl)n5)C4)n3)c3cc(F)cc(F)c32)cc1.FC(F)(F)c1cc(Cl)nc(Cl)n1.
What is the InChIKey of cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is SSGPRXDNHFTYPX-KEQLDRSISA-N. The full InChI is InChI=1S/C31H26ClF6N7O2S.C26H26F3N5O2S.C5HCl2F3N2/c1-15-6-8-20(9-7-15)48(46,47)45-14-22(21-10-17(33)11-23(34)27(21)45)28-39-16(2)26(35)29(44-28)41-19-5-3-4-18(12-19)40-25-13-24(31(36,37)38)42-30(32)43-25;1-14-6-8-19(9-7-14)37(35,36)34-13-21(20-10-16(27)11-22(28)24(20)34)25-31-15(2)23(29)26(33-25)32-18-5-3-4-17(30)12-18;6-3-1-2(5(8,9)10)11-4(7)12-3/h6-11,13-14,18-19H,3-5,12H2,1-2H3,(H,39,41,44)(H,40,42,43);6-11,13,17-18H,3-5,12,30H2,1-2H3,(H,31,32,33);1H/t18-,19+;17-,18+;/m00./s1.
What are the key properties of cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine?
cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 1456.67 g/mol, XLogP of 15.52, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine;2,4-dichloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 160922957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).