2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol

C21H25N5O3 — CID 170269025

About 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol

2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol (PubChem CID 170269025) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
• PubChem CID: 170269025
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
• SMILES: Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(C(C)(O)CO)n3)n2)c1
• InChI: InChI=1S/C21H25N5O3/c1-15-4-3-5-16(12-15)17-6-7-26(24-17)19-13-18(25-8-10-29-11-9-25)22-20(23-19)21(2,28)14-27/h3-7,12-13,27-28H,8-11,14H2,1-2H3
• InChIKey: MOIZSONWLDQFMU-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 96.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol?

The IUPAC name of 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol (CID 170269025) is 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol.

What is the SMILES notation for 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol?

The canonical SMILES for 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(C(C)(O)CO)n3)n2)c1.

What is the InChIKey of 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol?

The InChIKey is MOIZSONWLDQFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15-4-3-5-16(12-15)17-6-7-26(24-17)19-13-18(25-8-10-29-11-9-25)22-20(23-19)21(2,28)14-27/h3-7,12-13,27-28H,8-11,14H2,1-2H3.

What are the key properties of 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol?

2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol has a molecular weight of 395.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol is sourced from PubChem (CID 170269025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).