6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H16F3N5 — CID 106773569

IUPAC6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cc(CC)n(-c2cc(NC)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H16F3N5/c1-4-8-6-9(5-2)21(20-8)11-7-10(17-3)18-12(19-11)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyWDGSCXFGHZYMND-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.85
Rot. Bonds4

About 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773569) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773569
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cc(CC)n(-c2cc(NC)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H16F3N5/c1-4-8-6-9(5-2)21(20-8)11-7-10(17-3)18-12(19-11)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyWDGSCXFGHZYMND-UHFFFAOYSA-N
XLogP2.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-diethylpyrazol-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719620
1-[6-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]-N-methylmethanamine
CID 82694748
6-(4,5-dimethylimidazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773488
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
CID 80956877
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514
2-cyclopropyl-6-(3,5-diethylpyrazol-1-yl)-N-ethylpyrimidin-4-amine
CID 82698934
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
6-(3,5-diethylpyrazol-1-yl)-N-ethylpyridin-2-amine
CID 82699860
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771328

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773569) is 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CCc1cc(CC)n(-c2cc(NC)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WDGSCXFGHZYMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-4-8-6-9(5-2)21(20-8)11-7-10(17-3)18-12(19-11)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 299.30 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-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).