N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C8H10F3N3 — CID 3704748

IUPACN-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-3-12-7-13-5(2)4-6(14-7)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyJCTGMGHMTCSAET-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.24
Rot. Bonds2

About N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3704748) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3704748
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-3-12-7-13-5(2)4-6(14-7)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyJCTGMGHMTCSAET-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 3704748) is N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JCTGMGHMTCSAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-3-12-7-13-5(2)4-6(14-7)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 205.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3704748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).