2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine

C6H8F3N3 — CID 151041133

IUPAC2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine
SMILESCC1(N)N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H8F3N3/c1-5(10)11-3-2-4(12-5)6(7,8)9/h2-3,12H,10H2,1H3
InChIKeyVGBVXOZMRBZYEZ-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.74
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine

2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine (PubChem CID 151041133) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine
PubChem CID151041133
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine
SMILESCC1(N)N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H8F3N3/c1-5(10)11-3-2-4(12-5)6(7,8)9/h2-3,12H,10H2,1H3
InChIKeyVGBVXOZMRBZYEZ-UHFFFAOYSA-N
XLogP0.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine (CID 151041133) is 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine is CC1(N)N=CC=C(C(F)(F)F)N1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine?
The InChIKey is VGBVXOZMRBZYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-5(10)11-3-2-4(12-5)6(7,8)9/h2-3,12H,10H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine?
2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine has a molecular weight of 179.15 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-amine is sourced from PubChem (CID 151041133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).