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

C6H6F3N3 — CID 10773633

IUPAC5-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C6H6F3N3/c1-3-2-11-5(10)12-4(3)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyAMWQAIOPVVECAG-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.39
Rot. Bonds

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

5-methyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 10773633) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID10773633
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name5-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C6H6F3N3/c1-3-2-11-5(10)12-4(3)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyAMWQAIOPVVECAG-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 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 10773633) is 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cnc(N)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AMWQAIOPVVECAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c1-3-2-11-5(10)12-4(3)6(7,8)9/h2H,1H3,(H2,10,11,12).
What are the key properties of 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
5-methyl-4-(trifluoromethyl)pyrimidin-2-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 5-methyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 10773633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).