4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane

C74H114Cl2N16O4S2 — CID 157304689

About 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane

4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane (PubChem CID 157304689) has the molecular formula C74H114Cl2N16O4S2 and a molecular weight of 1426.87 g/mol. Its IUPAC name is 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane.

Molecular Properties

• Compound Name: 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane
• PubChem CID: 157304689
• Molecular Formula: C74H114Cl2N16O4S2
• Molecular Weight: 1426.87 g/mol
• Exact Mass: 1424.80
• IUPAC Name: 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane
• SMILES: C.C.C.C.C.C.CC1=Cc2c(Cl)ncnc2C1.CC1=Cc2c(ncnc2NC2CCC(N(C)C)CC2)C1.CN(C)C1CCC(N)CC1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(Cl)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(NC4CCC(N(C)C)CC4)ncnc32)cc1
• InChI: InChI=1S/C22H29N5O2S.C16H24N4.C14H12ClN3O2S.C8H7ClN2.C8H18N2.6CH4/c1-15-5-11-19(12-6-15)30(28,29)27-16(2)13-20-21(23-14-24-22(20)27)25-17-7-9-18(10-8-17)26(3)4;1-11-8-14-15(9-11)17-10-18-16(14)19-12-4-6-13(7-5-12)20(2)3;1-9-3-5-11(6-4-9)21(19,20)18-10(2)7-12-13(15)16-8-17-14(12)18;1-5-2-6-7(3-5)10-4-11-8(6)9;1-10(2)8-5-3-7(9)4-6-8;;;;;;/h5-6,11-14,17-18H,7-10H2,1-4H3,(H,23,24,25);8,10,12-13H,4-7,9H2,1-3H3,(H,17,18,19);3-8H,1-2H3;2,4H,3H2,1H3;7-8H,3-6,9H2,1-2H3;6*1H4
• InChIKey: BCHWUYFWWQPJOH-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 241.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.87
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane?

The IUPAC name of 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane (CID 157304689) is 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane.

What is the SMILES notation for 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane?

The canonical SMILES for 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane is C.C.C.C.C.C.CC1=Cc2c(Cl)ncnc2C1.CC1=Cc2c(ncnc2NC2CCC(N(C)C)CC2)C1.CN(C)C1CCC(N)CC1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(Cl)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(NC4CCC(N(C)C)CC4)ncnc32)cc1.

What is the InChIKey of 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane?

The InChIKey is BCHWUYFWWQPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S.C16H24N4.C14H12ClN3O2S.C8H7ClN2.C8H18N2.6CH4/c1-15-5-11-19(12-6-15)30(28,29)27-16(2)13-20-21(23-14-24-22(20)27)25-17-7-9-18(10-8-17)26(3)4;1-11-8-14-15(9-11)17-10-18-16(14)19-12-4-6-13(7-5-12)20(2)3;1-9-3-5-11(6-4-9)21(19,20)18-10(2)7-12-13(15)16-8-17-14(12)18;1-5-2-6-7(3-5)10-4-11-8(6)9;1-10(2)8-5-3-7(9)4-6-8;;;;;;/h5-6,11-14,17-18H,7-10H2,1-4H3,(H,23,24,25);8,10,12-13H,4-7,9H2,1-3H3,(H,17,18,19);3-8H,1-2H3;2,4H,3H2,1H3;7-8H,3-6,9H2,1-2H3;6*1H4.

What are the key properties of 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane?

4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane has a molecular weight of 1426.87 g/mol, XLogP of 15.95, 11 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-methyl-7H-cyclopenta[d]pyrimidine;4-chloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(6-methyl-7H-cyclopenta[d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-[6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;methane is sourced from PubChem (CID 157304689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).