1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea

C15H22N6O2 — CID 137025339

About 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea

1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea (PubChem CID 137025339) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea
• PubChem CID: 137025339
• Molecular Formula: C15H22N6O2
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.18
• IUPAC Name: 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea
• SMILES: Cc1cc(=O)[nH]c(CCNC(=O)N(C)CCn2ccnc2C)n1
• InChI: InChI=1S/C15H22N6O2/c1-11-10-14(22)19-13(18-11)4-5-17-15(23)20(3)8-9-21-7-6-16-12(21)2/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,23)(H,18,19,22)
• InChIKey: GGEGDHYSOHZVMK-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea?

The IUPAC name of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea (CID 137025339) is 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea.

What is the SMILES notation for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea?

The canonical SMILES for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea is Cc1cc(=O)[nH]c(CCNC(=O)N(C)CCn2ccnc2C)n1.

What is the InChIKey of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea?

The InChIKey is GGEGDHYSOHZVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-10-14(22)19-13(18-11)4-5-17-15(23)20(3)8-9-21-7-6-16-12(21)2/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,23)(H,18,19,22).

What are the key properties of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea?

1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea has a molecular weight of 318.38 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]urea is sourced from PubChem (CID 137025339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).