2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea

C12H19FN4O2 — CID 83116533

IUPAC2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
SMILESCC(C)Oc1cc(NCCNC(N)=O)c(N)cc1F
InChIInChI=1S/C12H19FN4O2/c1-7(2)19-11-6-10(9(14)5-8(11)13)16-3-4-17-12(15)18/h5-7,16H,3-4,14H2,1-2H3,(H3,15,17,18)
InChIKeyIVKMJBWXKCTTCF-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.28
Rot. Bonds6

About 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea

2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea (PubChem CID 83116533) has the molecular formula C12H19FN4O2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
PubChem CID83116533
Molecular FormulaC12H19FN4O2
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
SMILESCC(C)Oc1cc(NCCNC(N)=O)c(N)cc1F
InChIInChI=1S/C12H19FN4O2/c1-7(2)19-11-6-10(9(14)5-8(11)13)16-3-4-17-12(15)18/h5-7,16H,3-4,14H2,1-2H3,(H3,15,17,18)
InChIKeyIVKMJBWXKCTTCF-UHFFFAOYSA-N
XLogP1.28
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
4-fluoro-1-N-[(E)-pent-3-enyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 113465312
2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylethanesulfonamide
CID 106334507
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
CID 106343903
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
CID 63594191
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
CID 83115916
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
CID 65102598
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea?
The IUPAC name of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea (CID 83116533) is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea.
What is the SMILES notation for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea?
The canonical SMILES for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea is CC(C)Oc1cc(NCCNC(N)=O)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea?
The InChIKey is IVKMJBWXKCTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2/c1-7(2)19-11-6-10(9(14)5-8(11)13)16-3-4-17-12(15)18/h5-7,16H,3-4,14H2,1-2H3,(H3,15,17,18).
What are the key properties of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea?
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea has a molecular weight of 270.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea is sourced from PubChem (CID 83116533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).