4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

C45H69ClN12O4S2 — CID 161073526

IUPAC4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
SMILESC.C.C.CN(C)C1CCC(N)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(N)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCC(N(C)C)CC4)nc(N)nc32)cc1
InChIInChI=1S/C21H28N6O2S.C13H11ClN4O2S.C8H18N2.3CH4/c1-14-4-10-17(11-5-14)30(28,29)27-13-12-18-19(24-21(22)25-20(18)27)23-15-6-8-16(9-7-15)26(2)3;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;1-10(2)8-5-3-7(9)4-6-8;;;/h4-5,10-13,15-16H,6-9H2,1-3H3,(H3,22,23,24,25);2-7H,1H3,(H2,15,16,17);7-8H,3-6,9H2,1-2H3;3*1H4
InChIKeyUEYUUIWKTQLHNI-UHFFFAOYSA-N
MW941.71 g/mol
LogP7.78
Rot. Bonds8

About 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (PubChem CID 161073526) has the molecular formula C45H69ClN12O4S2 and a molecular weight of 941.71 g/mol. Its IUPAC name is 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.

Molecular Properties

Compound Name4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
PubChem CID161073526
Molecular FormulaC45H69ClN12O4S2
Molecular Weight941.71 g/mol
Exact Mass940.47
IUPAC Name4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
SMILESC.C.C.CN(C)C1CCC(N)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(N)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCC(N(C)C)CC4)nc(N)nc32)cc1
InChIInChI=1S/C21H28N6O2S.C13H11ClN4O2S.C8H18N2.3CH4/c1-14-4-10-17(11-5-14)30(28,29)27-13-12-18-19(24-21(22)25-20(18)27)23-15-6-8-16(9-7-15)26(2)3;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;1-10(2)8-5-3-7(9)4-6-8;;;/h4-5,10-13,15-16H,6-9H2,1-3H3,(H3,22,23,24,25);2-7H,1H3,(H2,15,16,17);7-8H,3-6,9H2,1-2H3;3*1H4
InChIKeyUEYUUIWKTQLHNI-UHFFFAOYSA-N
XLogP7.78
TPSA226.27 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.71
LogP ≤ 57.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane with MolForge

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Related Compounds

N-methyl-N-[(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537177
N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156012158
4-methyl-N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156017097
US11407757, Cpd 66
CID 149981530
4-chloro-N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156012983
4-methyl-N-[2-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 156013425
4-chloro-N-[2-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 156020706
7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 171351055
4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]benzenesulfonamide
CID 90115098
4-N,4-N-dibenzyl-2,6-difluoro-1-N-[2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
CID 135061644
4-(2-{[7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}ethyl)benzenesulfonamide
CID 1522510
N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7-tosyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine
CID 15984680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The IUPAC name of 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (CID 161073526) is 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.
What is the SMILES notation for 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The canonical SMILES for 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is C.C.C.CN(C)C1CCC(N)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(N)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCC(N(C)C)CC4)nc(N)nc32)cc1.
What is the InChIKey of 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The InChIKey is UEYUUIWKTQLHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S.C13H11ClN4O2S.C8H18N2.3CH4/c1-14-4-10-17(11-5-14)30(28,29)27-13-12-18-19(24-21(22)25-20(18)27)23-15-6-8-16(9-7-15)26(2)3;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;1-10(2)8-5-3-7(9)4-6-8;;;/h4-5,10-13,15-16H,6-9H2,1-3H3,(H3,22,23,24,25);2-7H,1H3,(H2,15,16,17);7-8H,3-6,9H2,1-2H3;3*1H4.
What are the key properties of 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane has a molecular weight of 941.71 g/mol, XLogP of 7.78, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine;4-N-[4-(dimethylamino)cyclohexyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is sourced from PubChem (CID 161073526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).