6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine

C12H12FN3 — CID 115502956

IUPAC6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc(F)c2C)ncn1
InChIInChI=1S/C12H12FN3/c1-8-9(4-3-5-10(8)13)11-6-12(14-2)16-7-15-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyYAXGEOHLLOZUJY-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.63
Rot. Bonds2

About 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine

6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 115502956) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
PubChem CID115502956
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc(F)c2C)ncn1
InChIInChI=1S/C12H12FN3/c1-8-9(4-3-5-10(8)13)11-6-12(14-2)16-7-15-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyYAXGEOHLLOZUJY-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502919
6-[5-[(2,6-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpyrimidin-4-amine
CID 166434673
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115502976
5-(2-fluorophenyl)-N-methyl-1H-pyrazol-3-amine
CID 63048813
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189659
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
1-N-(3-fluorophenyl)-6-methyl-5-N-[3-[6-(methylamino)pyrimidin-4-yl]-2-pyridinyl]isoquinoline-1,5-diamine
CID 67437480
6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
CID 80864261
2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
CID 115502925
6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 113324521

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine (CID 115502956) is 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine is CNc1cc(-c2cccc(F)c2C)ncn1.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is YAXGEOHLLOZUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-9(4-3-5-10(8)13)11-6-12(14-2)16-7-15-11/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 217.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115502956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).