4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C98H116N18O4S2 — CID 157366051

IUPAC4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(CC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C
InChIInChI=1S/C26H28N4O2S.C21H21N5O2S.C19H25N3.C17H23N3.C15H19N3/c1-18-11-13-21(14-12-18)33(31,32)30-17-23(22-9-5-6-10-25(22)30)24-16-20(28-26(27)29-24)15-19-7-3-2-4-8-19;1-3-23-20-12-18(24-21(22)25-20)17-13-26(19-7-5-4-6-16(17)19)29(27,28)15-10-8-14(2)9-11-15;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-6,9-14,16-17,19H,2-4,7-8,15H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H3,22,23,24,25);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);6-9H,10H2,1-5H3,(H2,18,19,20);5,7-9H,4,6H2,1-3H3,(H2,16,17,18)
InChIKeyBJEPYMNTGPIKEQ-UHFFFAOYSA-N
MW1674.26 g/mol
LogP20.70
Rot. Bonds18

About 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 157366051) has the molecular formula C98H116N18O4S2 and a molecular weight of 1674.26 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
PubChem CID157366051
Molecular FormulaC98H116N18O4S2
Molecular Weight1674.26 g/mol
Exact Mass1672.89
IUPAC Name4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(CC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C
InChIInChI=1S/C26H28N4O2S.C21H21N5O2S.C19H25N3.C17H23N3.C15H19N3/c1-18-11-13-21(14-12-18)33(31,32)30-17-23(22-9-5-6-10-25(22)30)24-16-20(28-26(27)29-24)15-19-7-3-2-4-8-19;1-3-23-20-12-18(24-21(22)25-20)17-13-26(19-7-5-4-6-16(17)19)29(27,28)15-10-8-14(2)9-11-15;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-6,9-14,16-17,19H,2-4,7-8,15H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H3,22,23,24,25);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);6-9H,10H2,1-5H3,(H2,18,19,20);5,7-9H,4,6H2,1-3H3,(H2,16,17,18)
InChIKeyBJEPYMNTGPIKEQ-UHFFFAOYSA-N
XLogP20.70
TPSA349.17 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001674.26
LogP ≤ 520.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

1-(1-methylindol-7-yl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89614037
US11407757, Cpd 66
CID 149981530
1-[2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethyl]-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 177375634
2-fluoro-N-[4-[[6-[1-[2-(1-methylpiperidin-4-yl)ethyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134698
2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134750
2-fluoro-4-methyl-N-[4-[[6-[1-[2-(1-methylpiperidin-4-yl)ethyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134927
4-fluoro-N-[4-[[6-[1-[2-(1-methylpiperidin-4-yl)ethyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134938
3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 89737593
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
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
N-[[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methyl]-1-phenylmethanamine
CID 135145706
4-N-[(1S,3R)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]quinazoline-2,4-diamine
CID 140961510

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 157366051) is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is CCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(CC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is BJEPYMNTGPIKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S.C21H21N5O2S.C19H25N3.C17H23N3.C15H19N3/c1-18-11-13-21(14-12-18)33(31,32)30-17-23(22-9-5-6-10-25(22)30)24-16-20(28-26(27)29-24)15-19-7-3-2-4-8-19;1-3-23-20-12-18(24-21(22)25-20)17-13-26(19-7-5-4-6-16(17)19)29(27,28)15-10-8-14(2)9-11-15;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-6,9-14,16-17,19H,2-4,7-8,15H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H3,22,23,24,25);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);6-9H,10H2,1-5H3,(H2,18,19,20);5,7-9H,4,6H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 1674.26 g/mol, XLogP of 20.70, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157366051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).