3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one

C19H27N5O2 — CID 124948479

About 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one

3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one (PubChem CID 124948479) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one
• PubChem CID: 124948479
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one
• SMILES: Cc1cc(CC[C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)ncn1
• InChI: InChI=1S/C19H27N5O2/c1-14-10-17(21-13-20-14)5-6-18-12-24(8-9-26-18)19(25)7-4-16-11-23(3)22-15(16)2/h10-11,13,18H,4-9,12H2,1-3H3/t18-/m0/s1
• InChIKey: CNGLCMMFVXLFCT-SFHVURJKSA-N
• XLogP: 1.62
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one?

The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one (CID 124948479) is 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one.

What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one?

The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one is Cc1cc(CC[C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)ncn1.

What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one?

The InChIKey is CNGLCMMFVXLFCT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-10-17(21-13-20-14)5-6-18-12-24(8-9-26-18)19(25)7-4-16-11-23(3)22-15(16)2/h10-11,13,18H,4-9,12H2,1-3H3/t18-/m0/s1.

What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one?

3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one has a molecular weight of 357.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124948479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).