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

C13H12F3N3 — CID 154882766

IUPAC6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(F)ccc2C)cc(C(F)F)n1
InChIInChI=1S/C13H12F3N3/c1-7-3-4-9(14)5-10(7)19-12-6-11(13(15)16)17-8(2)18-12/h3-6,13H,1-2H3,(H,17,18,19)
InChIKeyYTGMVKBGUZPELR-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.91
Rot. Bonds3

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

6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 154882766) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine
PubChem CID154882766
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(F)ccc2C)cc(C(F)F)n1
InChIInChI=1S/C13H12F3N3/c1-7-3-4-9(14)5-10(7)19-12-6-11(13(15)16)17-8(2)18-12/h3-6,13H,1-2H3,(H,17,18,19)
InChIKeyYTGMVKBGUZPELR-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine (CID 154882766) is 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine is Cc1nc(Nc2cc(F)ccc2C)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is YTGMVKBGUZPELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-7-3-4-9(14)5-10(7)19-12-6-11(13(15)16)17-8(2)18-12/h3-6,13H,1-2H3,(H,17,18,19).
What are the key properties of 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine?
6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 267.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 154882766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).