N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide

C18H24N6O2 — CID 124988701

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 124988701) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
• PubChem CID: 124988701
• Molecular Formula: C18H24N6O2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.20
• IUPAC Name: N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
• SMILES: CC(C)c1ncc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)cn1
• InChI: InChI=1S/C18H24N6O2/c1-13(2)16-21-8-14(9-22-16)17(25)23-11-18(26)4-3-7-24(12-18)15-10-19-5-6-20-15/h5-6,8-10,13,26H,3-4,7,11-12H2,1-2H3,(H,23,25)/t18-/m1/s1
• InChIKey: OOUBSJRDCGFZIJ-GOSISDBHSA-N
• XLogP: 1.15
• TPSA: 104.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?

The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 124988701) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide.

What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?

The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)cn1.

What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?

The InChIKey is OOUBSJRDCGFZIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(2)16-21-8-14(9-22-16)17(25)23-11-18(26)4-3-7-24(12-18)15-10-19-5-6-20-15/h5-6,8-10,13,26H,3-4,7,11-12H2,1-2H3,(H,23,25)/t18-/m1/s1.

What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 124988701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).