4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H13F3N6 — CID 69092262

IUPAC4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccnn2C)ncc1C(F)(F)F
InChIInChI=1S/C11H13F3N6/c1-3-15-9-7(11(12,13)14)6-16-10(19-9)18-8-4-5-17-20(8)2/h4-6H,3H2,1-2H3,(H2,15,16,18,19)
InChIKeyNQXZMUGIZUWSIA-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.40
Rot. Bonds4

About 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69092262) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69092262
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccnn2C)ncc1C(F)(F)F
InChIInChI=1S/C11H13F3N6/c1-3-15-9-7(11(12,13)14)6-16-10(19-9)18-8-4-5-17-20(8)2/h4-6H,3H2,1-2H3,(H2,15,16,18,19)
InChIKeyNQXZMUGIZUWSIA-UHFFFAOYSA-N
XLogP2.40
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine 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 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69092262) is 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2ccnn2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NQXZMUGIZUWSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-3-15-9-7(11(12,13)14)6-16-10(19-9)18-8-4-5-17-20(8)2/h4-6H,3H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69092262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).