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

C6H6F3N3 — CID 82374820

IUPAC2-methyl-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3/c1-3-11-2-4(10)5(12-3)6(7,8)9/h2H,10H2,1H3
InChIKeyYMCGLQJENBTHHE-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.39
Rot. Bonds

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

2-methyl-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 82374820) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID82374820
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name2-methyl-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3/c1-3-11-2-4(10)5(12-3)6(7,8)9/h2H,10H2,1H3
InChIKeyYMCGLQJENBTHHE-UHFFFAOYSA-N
XLogP1.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine (CID 82374820) is 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine is Cc1ncc(N)c(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is YMCGLQJENBTHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c1-3-11-2-4(10)5(12-3)6(7,8)9/h2H,10H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine?
2-methyl-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 177.13 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 82374820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).