[4-(cyclopropylamino)phenyl]urea

C10H13N3O — CID 103439135

IUPAC[4-(cyclopropylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NC2CC2)cc1
InChIInChI=1S/C10H13N3O/c11-10(14)13-9-5-3-8(4-6-9)12-7-1-2-7/h3-7,12H,1-2H2,(H3,11,13,14)
InChIKeyKAHHKOBLJDCBHW-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.75
Rot. Bonds3

About [4-(cyclopropylamino)phenyl]urea

[4-(cyclopropylamino)phenyl]urea (PubChem CID 103439135) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [4-(cyclopropylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(cyclopropylamino)phenyl]urea
PubChem CID103439135
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[4-(cyclopropylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NC2CC2)cc1
InChIInChI=1S/C10H13N3O/c11-10(14)13-9-5-3-8(4-6-9)12-7-1-2-7/h3-7,12H,1-2H2,(H3,11,13,14)
InChIKeyKAHHKOBLJDCBHW-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopentylamino)phenyl]urea
CID 43744886
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
CID 64744825
4-(cyclopropylamino)benzamide
CID 103605968
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
(4-cyclopentylphenyl)urea
CID 130193151
[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]urea
CID 43745037
[4-[(4-methylthiolan-3-yl)amino]phenyl]urea
CID 114285169
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
(4-bromophenyl)urea
CID 16074

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylamino)phenyl]urea?
The IUPAC name of [4-(cyclopropylamino)phenyl]urea (CID 103439135) is [4-(cyclopropylamino)phenyl]urea.
What is the SMILES notation for [4-(cyclopropylamino)phenyl]urea?
The canonical SMILES for [4-(cyclopropylamino)phenyl]urea is NC(=O)Nc1ccc(NC2CC2)cc1.
What is the InChIKey of [4-(cyclopropylamino)phenyl]urea?
The InChIKey is KAHHKOBLJDCBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(14)13-9-5-3-8(4-6-9)12-7-1-2-7/h3-7,12H,1-2H2,(H3,11,13,14).
What are the key properties of [4-(cyclopropylamino)phenyl]urea?
[4-(cyclopropylamino)phenyl]urea has a molecular weight of 191.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylamino)phenyl]urea is sourced from PubChem (CID 103439135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).