1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol

C22H24N4O — CID 133400226

About 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol

1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol (PubChem CID 133400226) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

• Compound Name: 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol
• PubChem CID: 133400226
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol
• SMILES: CC(Nc1nc(-c2ccncc2)nc2c1CCC2)C(O)Cc1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-15(20(27)14-16-6-3-2-4-7-16)24-22-18-8-5-9-19(18)25-21(26-22)17-10-12-23-13-11-17/h2-4,6-7,10-13,15,20,27H,5,8-9,14H2,1H3,(H,24,25,26)
• InChIKey: RIUOUZIBEOUDIN-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 70.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol?

The IUPAC name of 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol (CID 133400226) is 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol.

What is the SMILES notation for 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol?

The canonical SMILES for 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol is CC(Nc1nc(-c2ccncc2)nc2c1CCC2)C(O)Cc1ccccc1.

What is the InChIKey of 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol?

The InChIKey is RIUOUZIBEOUDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(20(27)14-16-6-3-2-4-7-16)24-22-18-8-5-9-19(18)25-21(26-22)17-10-12-23-13-11-17/h2-4,6-7,10-13,15,20,27H,5,8-9,14H2,1H3,(H,24,25,26).

What are the key properties of 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol?

1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 360.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 133400226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).