2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine

C12H17F3N4O — CID 167874144

IUPAC2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-11(2)7-19(5-4-16-11)10-17-8(12(13,14)15)6-9(18-10)20-3/h6,16H,4-5,7H2,1-3H3
InChIKeyYPANOGFQKJXGQO-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.69
Rot. Bonds2

About 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine

2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 167874144) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine
PubChem CID167874144
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-11(2)7-19(5-4-16-11)10-17-8(12(13,14)15)6-9(18-10)20-3/h6,16H,4-5,7H2,1-3H3
InChIKeyYPANOGFQKJXGQO-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine 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 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine (CID 167874144) is 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)nc(N2CCNC(C)(C)C2)n1.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is YPANOGFQKJXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-11(2)7-19(5-4-16-11)10-17-8(12(13,14)15)6-9(18-10)20-3/h6,16H,4-5,7H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine?
2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 290.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167874144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).