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

C12H12FN3 — CID 62389112

IUPAC2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C12H12FN3/c1-8-3-4-9(13)7-10(8)12-15-6-5-11(14-2)16-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyCTFXCWXTTDEIOY-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.63
Rot. Bonds2

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

2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 62389112) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
PubChem CID62389112
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C12H12FN3/c1-8-3-4-9(13)7-10(8)12-15-6-5-11(14-2)16-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyCTFXCWXTTDEIOY-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine (CID 62389112) is 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine is CNc1ccnc(-c2cc(F)ccc2C)n1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is CTFXCWXTTDEIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-3-4-9(13)7-10(8)12-15-6-5-11(14-2)16-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine?
2-(5-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 2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62389112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).