(7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C52H50Cl2N12O2 — CID 157379429

About (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

(7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 157379429) has the molecular formula C52H50Cl2N12O2 and a molecular weight of 945.96 g/mol. Its IUPAC name is (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
• PubChem CID: 157379429
• Molecular Formula: C52H50Cl2N12O2
• Molecular Weight: 945.96 g/mol
• Exact Mass: 944.36
• IUPAC Name: (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
• SMILES: COc1cc(Nc2nc3c(c(N4CCC4)n2)CC[C@@H]3c2ccccc2)ccc1-n1cnc(Cl)c1.COc1cc(Nc2nc3c(c(N4CCC4)n2)CC[C@H]3c2ccccc2)ccc1-n1cnc(Cl)c1
• InChI: InChI=1S/2C26H25ClN6O/c2*1-34-22-14-18(8-11-21(22)33-15-23(27)28-16-33)29-26-30-24-19(17-6-3-2-4-7-17)9-10-20(24)25(31-26)32-12-5-13-32/h2*2-4,6-8,11,14-16,19H,5,9-10,12-13H2,1H3,(H,29,30,31)/t2*19-/m10/s1
• InChIKey: BKRVVPSGRSYTLU-OYPHMNEHSA-N
• XLogP: 10.71
• TPSA: 136.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.96
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

The IUPAC name of (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 157379429) is (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

What is the SMILES notation for (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

The canonical SMILES for (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is COc1cc(Nc2nc3c(c(N4CCC4)n2)CC[C@@H]3c2ccccc2)ccc1-n1cnc(Cl)c1.COc1cc(Nc2nc3c(c(N4CCC4)n2)CC[C@H]3c2ccccc2)ccc1-n1cnc(Cl)c1.

What is the InChIKey of (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

The InChIKey is BKRVVPSGRSYTLU-OYPHMNEHSA-N. The full InChI is InChI=1S/2C26H25ClN6O/c2*1-34-22-14-18(8-11-21(22)33-15-23(27)28-16-33)29-26-30-24-19(17-6-3-2-4-7-17)9-10-20(24)25(31-26)32-12-5-13-32/h2*2-4,6-8,11,14-16,19H,5,9-10,12-13H2,1H3,(H,29,30,31)/t2*19-/m10/s1.

What are the key properties of (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

(7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 945.96 g/mol, XLogP of 10.71, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 157379429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).