(2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

C24H30N6O2 — CID 95831641

About (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

(2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 95831641) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 95831641
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1nc(N)ncc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1
• InChI: InChI=1S/C24H30N6O2/c1-15(2)17-4-6-20(7-5-17)32-11-9-19-12-22(29-28-19)18-8-10-30(14-18)23(31)21-13-26-24(25)27-16(21)3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,28,29)(H2,25,26,27)/t18-/m0/s1
• InChIKey: OAYLAJHTBIYMHK-SFHVURJKSA-N
• XLogP: 3.46
• TPSA: 110.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (CID 95831641) is (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is Cc1nc(N)ncc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1.

What is the InChIKey of (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The InChIKey is OAYLAJHTBIYMHK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15(2)17-4-6-20(7-5-17)32-11-9-19-12-22(29-28-19)18-8-10-30(14-18)23(31)21-13-26-24(25)27-16(21)3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,28,29)(H2,25,26,27)/t18-/m0/s1.

What are the key properties of (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

(2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 434.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95831641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).