2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

C27H27N5O — CID 177024531

About 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (PubChem CID 177024531) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

Molecular Properties

• Compound Name: 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
• PubChem CID: 177024531
• Molecular Formula: C27H27N5O
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.22
• IUPAC Name: 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
• SMILES: CC(C)c1ccccc1-c1nc(NCc2ccc(-c3ccccn3)nc2)c2c(n1)C(O)CC2
• InChI: InChI=1S/C27H27N5O/c1-17(2)19-7-3-4-8-20(19)27-31-25-21(11-13-24(25)33)26(32-27)30-16-18-10-12-23(29-15-18)22-9-5-6-14-28-22/h3-10,12,14-15,17,24,33H,11,13,16H2,1-2H3,(H,30,31,32)
• InChIKey: SSZZGPFXJRQAFV-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 83.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

The IUPAC name of 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (CID 177024531) is 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

What is the SMILES notation for 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

The canonical SMILES for 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is CC(C)c1ccccc1-c1nc(NCc2ccc(-c3ccccn3)nc2)c2c(n1)C(O)CC2.

What is the InChIKey of 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

The InChIKey is SSZZGPFXJRQAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-17(2)19-7-3-4-8-20(19)27-31-25-21(11-13-24(25)33)26(32-27)30-16-18-10-12-23(29-15-18)22-9-5-6-14-28-22/h3-10,12,14-15,17,24,33H,11,13,16H2,1-2H3,(H,30,31,32).

What are the key properties of 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?

2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol has a molecular weight of 437.55 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is sourced from PubChem (CID 177024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).