N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C22H20F2N4O — CID 133435175

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133435175) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• PubChem CID: 133435175
• Molecular Formula: C22H20F2N4O
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
• SMILES: Fc1ccc(C2OCCC2Nc2nc(-c3ccccn3)nc3c2CCC3)cc1F
• InChI: InChI=1S/C22H20F2N4O/c23-15-8-7-13(12-16(15)24)20-18(9-11-29-20)27-21-14-4-3-6-17(14)26-22(28-21)19-5-1-2-10-25-19/h1-2,5,7-8,10,12,18,20H,3-4,6,9,11H2,(H,26,27,28)
• InChIKey: ZKIPHUMEAKKKNZ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133435175) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Fc1ccc(C2OCCC2Nc2nc(-c3ccccn3)nc3c2CCC3)cc1F.

What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

The InChIKey is ZKIPHUMEAKKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-15-8-7-13(12-16(15)24)20-18(9-11-29-20)27-21-14-4-3-6-17(14)26-22(28-21)19-5-1-2-10-25-19/h1-2,5,7-8,10,12,18,20H,3-4,6,9,11H2,(H,26,27,28).

What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 394.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133435175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).