3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C16H29N5O2 — CID 98718265

About 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 98718265) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
• PubChem CID: 98718265
• Molecular Formula: C16H29N5O2
• Molecular Weight: 323.44 g/mol
• Exact Mass: 323.23
• IUPAC Name: 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
• SMILES: C[C@@H]1CN([C@H](C)CNC(=O)N(C)Cc2cnn(C)c2)C[C@@H](C)O1
• InChI: InChI=1S/C16H29N5O2/c1-12(21-8-13(2)23-14(3)9-21)6-17-16(22)19(4)10-15-7-18-20(5)11-15/h7,11-14H,6,8-10H2,1-5H3,(H,17,22)/t12-,13-,14-/m1/s1
• InChIKey: RNGYSLZOXVHKQK-MGPQQGTHSA-N
• XLogP: 1.06
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.44
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?

The IUPAC name of 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 98718265) is 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

What is the SMILES notation for 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?

The canonical SMILES for 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is C[C@@H]1CN([C@H](C)CNC(=O)N(C)Cc2cnn(C)c2)C[C@@H](C)O1.

What is the InChIKey of 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?

The InChIKey is RNGYSLZOXVHKQK-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-12(21-8-13(2)23-14(3)9-21)6-17-16(22)19(4)10-15-7-18-20(5)11-15/h7,11-14H,6,8-10H2,1-5H3,(H,17,22)/t12-,13-,14-/m1/s1.

What are the key properties of 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?

3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 323.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 98718265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).