6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine

C12H14F3N5 — CID 133460952

IUPAC6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCCc1cc(Nc2cnn(CC(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C12H14F3N5/c1-3-9-4-11(18-8(2)17-9)19-10-5-16-20(6-10)7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyVDVIWFHUAHESRL-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.85
Rot. Bonds4

About 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 133460952) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID133460952
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCCc1cc(Nc2cnn(CC(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C12H14F3N5/c1-3-9-4-11(18-8(2)17-9)19-10-5-16-20(6-10)7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyVDVIWFHUAHESRL-UHFFFAOYSA-N
XLogP2.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine (CID 133460952) is 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine is CCc1cc(Nc2cnn(CC(F)(F)F)c2)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is VDVIWFHUAHESRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-3-9-4-11(18-8(2)17-9)19-10-5-16-20(6-10)7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133460952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).