[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

C20H24N6O2 — CID 134521427

About [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 134521427) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

• Compound Name: [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
• PubChem CID: 134521427
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
• SMILES: COc1cc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)nc(N)n1
• InChI: InChI=1S/C20H24N6O2/c1-28-18-13-17(23-20(21)24-18)25-11-8-15(9-12-25)19(27)26-16(7-10-22-26)14-5-3-2-4-6-14/h2-6,10,13,15-16H,7-9,11-12H2,1H3,(H2,21,23,24)/t16-/m0/s1
• InChIKey: OMJDHUIMTJTPOP-INIZCTEOSA-N
• XLogP: 2.24
• TPSA: 96.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?

The IUPAC name of [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 134521427) is [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.

What is the SMILES notation for [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?

The canonical SMILES for [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is COc1cc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)nc(N)n1.

What is the InChIKey of [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?

The InChIKey is OMJDHUIMTJTPOP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-18-13-17(23-20(21)24-18)25-11-8-15(9-12-25)19(27)26-16(7-10-22-26)14-5-3-2-4-6-14/h2-6,10,13,15-16H,7-9,11-12H2,1H3,(H2,21,23,24)/t16-/m0/s1.

What are the key properties of [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?

[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 134521427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).