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

C15H27N5O2 — CID 94030439

IUPAC3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESC[C@@H]1CN(CCNC(=O)N(C)Cc2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C15H27N5O2/c1-12-8-20(9-13(2)22-12)6-5-16-15(21)18(3)10-14-7-17-19(4)11-14/h7,11-13H,5-6,8-10H2,1-4H3,(H,16,21)/t12-,13+
InChIKeyNIJKEKNTYVIJAA-BETUJISGSA-N
MW309.41 g/mol
LogP0.67
Rot. Bonds5

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

3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 94030439) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID94030439
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESC[C@@H]1CN(CCNC(=O)N(C)Cc2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C15H27N5O2/c1-12-8-20(9-13(2)22-12)6-5-16-15(21)18(3)10-14-7-17-19(4)11-14/h7,11-13H,5-6,8-10H2,1-4H3,(H,16,21)/t12-,13+
InChIKeyNIJKEKNTYVIJAA-BETUJISGSA-N
XLogP0.67
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 98718265
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 118770404
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053931
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053929
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
CID 47128145
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753
3-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 86912624
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122566915
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95132243

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 94030439) is 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is C[C@@H]1CN(CCNC(=O)N(C)Cc2cnn(C)c2)C[C@H](C)O1.
What is the InChIKey of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is NIJKEKNTYVIJAA-BETUJISGSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-12-8-20(9-13(2)22-12)6-5-16-15(21)18(3)10-14-7-17-19(4)11-14/h7,11-13H,5-6,8-10H2,1-4H3,(H,16,21)/t12-,13+.
What are the key properties of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 309.41 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 94030439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).