5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine

C11H11FN4 — CID 143191089

IUPAC5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine
SMILESCNc1c(N)cc(F)cc1-c1ncccn1
InChIInChI=1S/C11H11FN4/c1-14-10-8(5-7(12)6-9(10)13)11-15-3-2-4-16-11/h2-6,14H,13H2,1H3
InChIKeyKSZMDLKQYWYVJR-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.91
Rot. Bonds2

About 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine

5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine (PubChem CID 143191089) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine
PubChem CID143191089
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine
SMILESCNc1c(N)cc(F)cc1-c1ncccn1
InChIInChI=1S/C11H11FN4/c1-14-10-8(5-7(12)6-9(10)13)11-15-3-2-4-16-11/h2-6,14H,13H2,1H3
InChIKeyKSZMDLKQYWYVJR-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-N-methylpyridine-2,3-diamine
CID 84648615
N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
CID 89172260
2,5-difluoro-3-N-methylbenzene-1,3-diamine
CID 141091770
4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline
CID 175386310
N-methyl-2-pyrimidin-2-ylaniline
CID 143958404
2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride
CID 139780205
5-N-methylquinoline-5,6-diamine
CID 154402299
1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one
CID 134524902
2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 62389112
N-(2-amino-4,6-difluorophenyl)pyridine-3-carboxamide
CID 81315271
3-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 68786112
1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
CID 90250687

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine (CID 143191089) is 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine is CNc1c(N)cc(F)cc1-c1ncccn1.
What is the InChIKey of 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine?
The InChIKey is KSZMDLKQYWYVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-14-10-8(5-7(12)6-9(10)13)11-15-3-2-4-16-11/h2-6,14H,13H2,1H3.
What are the key properties of 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine?
5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine has a molecular weight of 218.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 143191089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).