4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine

C12H12FN3 — CID 56704999

IUPAC4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
SMILESCc1ccc(F)c(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C12H12FN3/c1-7-3-4-10(13)9(5-7)11-6-8(2)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyHTQTXMZLNPKPTM-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.48
Rot. Bonds1

About 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine

4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 56704999) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
PubChem CID56704999
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
SMILESCc1ccc(F)c(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C12H12FN3/c1-7-3-4-10(13)9(5-7)11-6-8(2)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyHTQTXMZLNPKPTM-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 62516530
5-(2-fluoro-5-methylphenyl)pyrazin-2-amine
CID 56715716
4-methyl-6-(2-methylthiophen-3-yl)pyrimidin-2-amine
CID 102838422
4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 106763727
4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine
CID 162485475
6-(2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-2-amine
CID 164605810
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 39796773
[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 116897173
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine (CID 56704999) is 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine is Cc1ccc(F)c(-c2cc(C)nc(N)n2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is HTQTXMZLNPKPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-7-3-4-10(13)9(5-7)11-6-8(2)15-12(14)16-11/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine?
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 217.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 56704999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).