[(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C20H24N6O2 — CID 139580387

About [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

[(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 139580387) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
• PubChem CID: 139580387
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
• SMILES: O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1C[C@H](O)C[C@H](C2CC2)C1
• InChI: InChI=1S/C20H24N6O2/c27-17-5-14(13-1-2-13)10-26(11-17)18(28)15-6-23-19(24-7-15)25-20(3-4-20)16-8-21-12-22-9-16/h6-9,12-14,17,27H,1-5,10-11H2,(H,23,24,25)/t14-,17+/m0/s1
• InChIKey: IBANCIJZDREAID-WMLDXEAASA-N
• XLogP: 1.60
• TPSA: 104.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?

The IUPAC name of [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 139580387) is [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

What is the SMILES notation for [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?

The canonical SMILES for [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1C[C@H](O)C[C@H](C2CC2)C1.

What is the InChIKey of [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?

The InChIKey is IBANCIJZDREAID-WMLDXEAASA-N. The full InChI is InChI=1S/C20H24N6O2/c27-17-5-14(13-1-2-13)10-26(11-17)18(28)15-6-23-19(24-7-15)25-20(3-4-20)16-8-21-12-22-9-16/h6-9,12-14,17,27H,1-5,10-11H2,(H,23,24,25)/t14-,17+/m0/s1.

What are the key properties of [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?

[(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).