6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H12F3N5 — CID 106769306

IUPAC6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cc(-c2cc(NC)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5/c1-3-19-6-7(5-16-19)8-4-9(15-2)18-10(17-8)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyVYROWVBSCAQMHE-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.42
Rot. Bonds3

About 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769306) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769306
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cc(-c2cc(NC)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5/c1-3-19-6-7(5-16-19)8-4-9(15-2)18-10(17-8)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyVYROWVBSCAQMHE-UHFFFAOYSA-N
XLogP2.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
N-methyl-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774804
1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824519
6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497806
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 106878454
2-(1-ethylpyrazol-4-yl)-N-methylpyrimidin-4-amine
CID 103570484
6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769157
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091549
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024
N-methyl-2-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-amine
CID 175309777

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769306) is 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CCn1cc(-c2cc(NC)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VYROWVBSCAQMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-3-19-6-7(5-16-19)8-4-9(15-2)18-10(17-8)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 271.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).