1,3-diamino-1-(2-propan-2-ylphenyl)urea

C10H16N4O — CID 174659276

IUPAC1,3-diamino-1-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1N(N)C(=O)NN
InChIInChI=1S/C10H16N4O/c1-7(2)8-5-3-4-6-9(8)14(12)10(15)13-11/h3-7H,11-12H2,1-2H3,(H,13,15)
InChIKeyVMDPYUKZZNKJBA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds2

About 1,3-diamino-1-(2-propan-2-ylphenyl)urea

1,3-diamino-1-(2-propan-2-ylphenyl)urea (PubChem CID 174659276) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,3-diamino-1-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1,3-diamino-1-(2-propan-2-ylphenyl)urea
PubChem CID174659276
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1,3-diamino-1-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1N(N)C(=O)NN
InChIInChI=1S/C10H16N4O/c1-7(2)8-5-3-4-6-9(8)14(12)10(15)13-11/h3-7H,11-12H2,1-2H3,(H,13,15)
InChIKeyVMDPYUKZZNKJBA-UHFFFAOYSA-N
XLogP1.07
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-diamino-1-(2-iodo-3-methylphenyl)urea
CID 155217850
3-methyl-1-(methylaminomethyl)-1-(2-propan-2-ylphenyl)urea
CID 167210771
3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide
CID 28795019
4-bromo-N-(2-hydrazinyl-2-oxoethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 50893745
N-carbamothioyl-2-chloro-N-(2-propan-2-ylphenyl)acetamide
CID 118898422
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
N-tert-butyl-2-propan-2-ylbenzohydrazide
CID 173295055
N-[2-(1-cyanoethyl)phenyl]prop-2-enehydrazide
CID 67860179
(2E)-2-[carbamothioyl-(2-propan-2-ylphenyl)hydrazinylidene]acetic acid
CID 135122647
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
1,3-diamino-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-ylmethylsulfanyl)phenyl]urea
CID 144838866

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1,3-diamino-1-(2-propan-2-ylphenyl)urea (CID 174659276) is 1,3-diamino-1-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1,3-diamino-1-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1,3-diamino-1-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1N(N)C(=O)NN.
What is the InChIKey of 1,3-diamino-1-(2-propan-2-ylphenyl)urea?
The InChIKey is VMDPYUKZZNKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)8-5-3-4-6-9(8)14(12)10(15)13-11/h3-7H,11-12H2,1-2H3,(H,13,15).
What are the key properties of 1,3-diamino-1-(2-propan-2-ylphenyl)urea?
1,3-diamino-1-(2-propan-2-ylphenyl)urea has a molecular weight of 208.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 174659276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).