5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H10F3N3 — CID 82298422

IUPAC5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1c(N)ncnc1C(F)(F)F
InChIInChI=1S/C12H10F3N3/c1-7-4-2-3-5-8(7)9-10(12(13,14)15)17-6-18-11(9)16/h2-6H,1H3,(H2,16,17,18)
InChIKeyBFUPKZIRPLSTRR-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.05
Rot. Bonds1

About 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 82298422) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID82298422
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1c(N)ncnc1C(F)(F)F
InChIInChI=1S/C12H10F3N3/c1-7-4-2-3-5-8(7)9-10(12(13,14)15)17-6-18-11(9)16/h2-6H,1H3,(H2,16,17,18)
InChIKeyBFUPKZIRPLSTRR-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 82298422) is 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccccc1-c1c(N)ncnc1C(F)(F)F.
What is the InChIKey of 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BFUPKZIRPLSTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-7-4-2-3-5-8(7)9-10(12(13,14)15)17-6-18-11(9)16/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 253.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 82298422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).