(7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C48H48Cl2N14O2 — CID 158719746

About (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

(7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 158719746) has the molecular formula C48H48Cl2N14O2 and a molecular weight of 923.91 g/mol. Its IUPAC name is (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
• PubChem CID: 158719746
• Molecular Formula: C48H48Cl2N14O2
• Molecular Weight: 923.91 g/mol
• Exact Mass: 922.35
• IUPAC Name: (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
• SMILES: CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@@H]2c1ccccc1Cl.CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@H]2c1ccccc1Cl
• InChI: InChI=1S/2C24H24ClN7O/c2*1-14-27-13-32(31-14)20-11-8-15(12-21(20)33-3)28-24-29-22-17(16-6-4-5-7-19(16)25)9-10-18(22)23(26-2)30-24/h2*4-8,11-13,17H,9-10H2,1-3H3,(H2,26,28,29,30)/t2*17-/m10/s1
• InChIKey: IJTMQAZIJDVSLV-QAOGLABXSA-N
• XLogP: 9.78
• TPSA: 179.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.91
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

The IUPAC name of (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 158719746) is (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

What is the SMILES notation for (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

The canonical SMILES for (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@@H]2c1ccccc1Cl.CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@H]2c1ccccc1Cl.

What is the InChIKey of (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

The InChIKey is IJTMQAZIJDVSLV-QAOGLABXSA-N. The full InChI is InChI=1S/2C24H24ClN7O/c2*1-14-27-13-32(31-14)20-11-8-15(12-21(20)33-3)28-24-29-22-17(16-6-4-5-7-19(16)25)9-10-18(22)23(26-2)30-24/h2*4-8,11-13,17H,9-10H2,1-3H3,(H2,26,28,29,30)/t2*17-/m10/s1.

What are the key properties of (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

(7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 923.91 g/mol, XLogP of 9.78, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;(7S)-7-(2-chlorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158719746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).