3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

C21H27N5O2 — CID 133377520

About 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 133377520) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
• PubChem CID: 133377520
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
• SMILES: COCCC(=O)N1CCC(Nc2nc(-c3ccccn3)nc3c2CCC3)CC1
• InChI: InChI=1S/C21H27N5O2/c1-28-14-10-19(27)26-12-8-15(9-13-26)23-20-16-5-4-7-17(16)24-21(25-20)18-6-2-3-11-22-18/h2-3,6,11,15H,4-5,7-10,12-14H2,1H3,(H,23,24,25)
• InChIKey: SUUNZWZSJQQXGQ-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (CID 133377520) is 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(Nc2nc(-c3ccccn3)nc3c2CCC3)CC1.

What is the InChIKey of 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?

The InChIKey is SUUNZWZSJQQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-28-14-10-19(27)26-12-8-15(9-13-26)23-20-16-5-4-7-17(16)24-21(25-20)18-6-2-3-11-22-18/h2-3,6,11,15H,4-5,7-10,12-14H2,1H3,(H,23,24,25).

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

3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 381.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 133377520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).