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

C25H29N5O — CID 133497128

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

1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol (PubChem CID 133497128) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol
• PubChem CID: 133497128
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: 1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol
• SMILES: CN(CC1(O)CCN(Cc2ccccc2)C1)c1nc(-c2ccncc2)nc2c1CCC2
• InChI: InChI=1S/C25H29N5O/c1-29(17-25(31)12-15-30(18-25)16-19-6-3-2-4-7-19)24-21-8-5-9-22(21)27-23(28-24)20-10-13-26-14-11-20/h2-4,6-7,10-11,13-14,31H,5,8-9,12,15-18H2,1H3
• InChIKey: ZTZBWXCZIFAAOM-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol (CID 133497128) is 1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol.

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

The canonical SMILES for 1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol is CN(CC1(O)CCN(Cc2ccccc2)C1)c1nc(-c2ccncc2)nc2c1CCC2.

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

The InChIKey is ZTZBWXCZIFAAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-29(17-25(31)12-15-30(18-25)16-19-6-3-2-4-7-19)24-21-8-5-9-22(21)27-23(28-24)20-10-13-26-14-11-20/h2-4,6-7,10-11,13-14,31H,5,8-9,12,15-18H2,1H3.

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

1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 415.54 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 133497128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).