4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine

C12H11F2N3 — CID 82822591

IUPAC4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C12H11F2N3/c1-7-3-4-8(13)10(11(7)14)9-5-6-16-12(15-2)17-9/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQRCYIVWHNGBHKV-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.77
Rot. Bonds2

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

4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine (PubChem CID 82822591) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine
PubChem CID82822591
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C12H11F2N3/c1-7-3-4-8(13)10(11(7)14)9-5-6-16-12(15-2)17-9/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQRCYIVWHNGBHKV-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine (CID 82822591) is 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2c(F)ccc(C)c2F)n1.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is QRCYIVWHNGBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-7-3-4-8(13)10(11(7)14)9-5-6-16-12(15-2)17-9/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine?
4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine has a molecular weight of 235.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 82822591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).