1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C16H21N7O — CID 126946149

About 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946149) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• PubChem CID: 126946149
• Molecular Formula: C16H21N7O
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.18
• IUPAC Name: 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• SMILES: Cc1nccc(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)n1
• InChI: InChI=1S/C16H21N7O/c1-12-17-4-3-13(19-12)8-21-9-15(10-21)23-11-14(7-18-23)22-6-5-20(2)16(22)24/h3-4,7,11,15H,5-6,8-10H2,1-2H3
• InChIKey: HWRDHZSGQUNYEQ-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 70.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The IUPAC name of 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126946149) is 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

What is the SMILES notation for 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The canonical SMILES for 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is Cc1nccc(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)n1.

What is the InChIKey of 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The InChIKey is HWRDHZSGQUNYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-12-17-4-3-13(19-12)8-21-9-15(10-21)23-11-14(7-18-23)22-6-5-20(2)16(22)24/h3-4,7,11,15H,5-6,8-10H2,1-2H3.

What are the key properties of 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).