N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H12F3N3 — CID 62192540

IUPACN,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C)c1C
InChIInChI=1S/C9H12F3N3/c1-5-6(2)14-7(4-9(10,11)12)15-8(5)13-3/h4H2,1-3H3,(H,13,14,15)
InChIKeyMTBNFRLSMRVJES-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.24
Rot. Bonds2

About N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 62192540) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID62192540
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(C)c1C
InChIInChI=1S/C9H12F3N3/c1-5-6(2)14-7(4-9(10,11)12)15-8(5)13-3/h4H2,1-3H3,(H,13,14,15)
InChIKeyMTBNFRLSMRVJES-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 62192540) is N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1nc(CC(F)(F)F)nc(C)c1C.
What is the InChIKey of N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is MTBNFRLSMRVJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5-6(2)14-7(4-9(10,11)12)15-8(5)13-3/h4H2,1-3H3,(H,13,14,15).
What are the key properties of N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 219.21 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,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 62192540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).