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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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).