[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea

C10H13FN4O — CID 57257094

IUPAC[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea
SMILESCc1cccc(F)c1N(C)C(N)=NC(N)=O
InChIInChI=1S/C10H13FN4O/c1-6-4-3-5-7(11)8(6)15(2)9(12)14-10(13)16/h3-5H,1-2H3,(H4,12,13,14,16)
InChIKeyVPRYXANJKSOILH-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.96
Rot. Bonds1

About [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea

[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea (PubChem CID 57257094) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea.

Molecular Properties

Compound Name[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea
PubChem CID57257094
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea
SMILESCc1cccc(F)c1N(C)C(N)=NC(N)=O
InChIInChI=1S/C10H13FN4O/c1-6-4-3-5-7(11)8(6)15(2)9(12)14-10(13)16/h3-5H,1-2H3,(H4,12,13,14,16)
InChIKeyVPRYXANJKSOILH-UHFFFAOYSA-N
XLogP0.96
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis(2-fluoro-6-methylphenyl)oxamide
CID 129219134
[amino-(N,2,4-trimethylanilino)methylidene]urea
CID 57266541
N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
CID 139317380
2-amino-N-(2,6-difluorophenyl)-N-methylacetamide
CID 28794668
N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide
CID 91650502
N-(2,6-difluorophenyl)acetohydrazide
CID 54144857
2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
CID 117115563
2-amino-N-(2,6-dimethylphenyl)-N-methylpropanamide
CID 10081730
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698
N-(2,6-dimethylphenyl)-2-hydroxy-N-methylacetamide
CID 70578533
3-amino-N-(2-ethyl-6-methylphenyl)-N-methylpropanamide
CID 28795015

Frequently Asked Questions

What is the IUPAC name of [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea?
The IUPAC name of [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea (CID 57257094) is [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea.
What is the SMILES notation for [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea?
The canonical SMILES for [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea is Cc1cccc(F)c1N(C)C(N)=NC(N)=O.
What is the InChIKey of [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea?
The InChIKey is VPRYXANJKSOILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-6-4-3-5-7(11)8(6)15(2)9(12)14-10(13)16/h3-5H,1-2H3,(H4,12,13,14,16).
What are the key properties of [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea?
[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea has a molecular weight of 224.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea is sourced from PubChem (CID 57257094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).