5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C6H5F4N3 — CID 14112674

IUPAC5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(N)nc(C(F)(F)F)c1F
InChIInChI=1S/C6H5F4N3/c1-2-3(7)4(6(8,9)10)13-5(11)12-2/h1H3,(H2,11,12,13)
InChIKeyDWWYIAWWTLQKHR-UHFFFAOYSA-N
MW195.12 g/mol
LogP1.53
Rot. Bonds

About 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 14112674) has the molecular formula C6H5F4N3 and a molecular weight of 195.12 g/mol. Its IUPAC name is 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID14112674
Molecular FormulaC6H5F4N3
Molecular Weight195.12 g/mol
Exact Mass195.04
IUPAC Name5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(N)nc(C(F)(F)F)c1F
InChIInChI=1S/C6H5F4N3/c1-2-3(7)4(6(8,9)10)13-5(11)12-2/h1H3,(H2,11,12,13)
InChIKeyDWWYIAWWTLQKHR-UHFFFAOYSA-N
XLogP1.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 14112674) is 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1nc(N)nc(C(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DWWYIAWWTLQKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3/c1-2-3(7)4(6(8,9)10)13-5(11)12-2/h1H3,(H2,11,12,13).
What are the key properties of 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 195.12 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 14112674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).