[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea

C13H20N4O — CID 81466059

IUPAC[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea
SMILESCC1CC(Nc2cccc(NC(N)=O)c2)CN1C
InChIInChI=1S/C13H20N4O/c1-9-6-12(8-17(9)2)15-10-4-3-5-11(7-10)16-13(14)18/h3-5,7,9,12,15H,6,8H2,1-2H3,(H3,14,16,18)
InChIKeyRYABUCCRBZPAAX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.68
Rot. Bonds3

About [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea

[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea (PubChem CID 81466059) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea
PubChem CID81466059
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea
SMILESCC1CC(Nc2cccc(NC(N)=O)c2)CN1C
InChIInChI=1S/C13H20N4O/c1-9-6-12(8-17(9)2)15-10-4-3-5-11(7-10)16-13(14)18/h3-5,7,9,12,15H,6,8H2,1-2H3,(H3,14,16,18)
InChIKeyRYABUCCRBZPAAX-UHFFFAOYSA-N
XLogP1.68
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
CID 81466811
4-[(1,5-dimethylpyrrolidin-3-yl)amino]benzoic acid
CID 81466326
N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]cyclopropanecarboxamide
CID 81466509
1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine
CID 81467030
1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 81466627
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
[3-(methylamino)phenyl]urea
CID 23558981
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81467875
N-(9H-fluoren-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81469099
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286

Frequently Asked Questions

What is the IUPAC name of [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea?
The IUPAC name of [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea (CID 81466059) is [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea.
What is the SMILES notation for [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea?
The canonical SMILES for [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea is CC1CC(Nc2cccc(NC(N)=O)c2)CN1C.
What is the InChIKey of [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea?
The InChIKey is RYABUCCRBZPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-6-12(8-17(9)2)15-10-4-3-5-11(7-10)16-13(14)18/h3-5,7,9,12,15H,6,8H2,1-2H3,(H3,14,16,18).
What are the key properties of [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea?
[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea has a molecular weight of 248.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea is sourced from PubChem (CID 81466059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).