1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea

C13H19N3O — CID 71409374

IUPAC1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea
SMILESCc1cccc(C)c1NC(=O)NN1CCCC1
InChIInChI=1S/C13H19N3O/c1-10-6-5-7-11(2)12(10)14-13(17)15-16-8-3-4-9-16/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyKLQZTWOMXXSCFQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea

1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea (PubChem CID 71409374) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea
PubChem CID71409374
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea
SMILESCc1cccc(C)c1NC(=O)NN1CCCC1
InChIInChI=1S/C13H19N3O/c1-10-6-5-7-11(2)12(10)14-13(17)15-16-8-3-4-9-16/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyKLQZTWOMXXSCFQ-UHFFFAOYSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 6623844
3-methyl-2-(piperidin-1-ylamino)benzoic acid
CID 107112359
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
N-(2,6-dimethylphenyl)azepane-1-carbothioamide
CID 4144359
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea (CID 71409374) is 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea is Cc1cccc(C)c1NC(=O)NN1CCCC1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea?
The InChIKey is KLQZTWOMXXSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-5-7-11(2)12(10)14-13(17)15-16-8-3-4-9-16/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea?
1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea has a molecular weight of 233.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea is sourced from PubChem (CID 71409374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).