(2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C24H34N6O2 — CID 25289249

About (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 25289249) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 25289249
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
• SMILES: COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1
• InChI: InChI=1S/C24H34N6O2/c1-17(2)19-15-20(27-24(25)26-19)23(31)30-10-6-7-18(16-30)28-11-13-29(14-12-28)21-8-4-5-9-22(21)32-3/h4-5,8-9,15,17-18H,6-7,10-14,16H2,1-3H3,(H2,25,26,27)/t18-/m0/s1
• InChIKey: NHKPOXNTKQTDLM-SFHVURJKSA-N
• XLogP: 2.62
• TPSA: 87.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 25289249) is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1.

What is the InChIKey of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is NHKPOXNTKQTDLM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-17(2)19-15-20(27-24(25)26-19)23(31)30-10-6-7-18(16-30)28-11-13-29(14-12-28)21-8-4-5-9-22(21)32-3/h4-5,8-9,15,17-18H,6-7,10-14,16H2,1-3H3,(H2,25,26,27)/t18-/m0/s1.

What are the key properties of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?

(2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 438.58 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 25289249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).