4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine

C7H8F3N3 — CID 177041669

IUPAC4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1C(F)(F)F
InChIInChI=1S/C7H8F3N3/c1-3-5(7(8,9)10)4(2)13-6(11)12-3/h1-2H3,(H2,11,12,13)
InChIKeyAOXCFQWIHRSQGF-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.69
Rot. Bonds

About 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine

4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 177041669) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID177041669
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1C(F)(F)F
InChIInChI=1S/C7H8F3N3/c1-3-5(7(8,9)10)4(2)13-6(11)12-3/h1-2H3,(H2,11,12,13)
InChIKeyAOXCFQWIHRSQGF-UHFFFAOYSA-N
XLogP1.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine (CID 177041669) is 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nc(N)nc(C)c1C(F)(F)F.
What is the InChIKey of 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AOXCFQWIHRSQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-3-5(7(8,9)10)4(2)13-6(11)12-3/h1-2H3,(H2,11,12,13).
What are the key properties of 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine?
4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 191.16 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 177041669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).