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

C13H16F3N5 — CID 114566076

IUPAC4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1c(C)nn(-c2cc(C(F)(F)F)nc(NC)n2)c1C
InChIInChI=1S/C13H16F3N5/c1-5-9-7(2)20-21(8(9)3)11-6-10(13(14,15)16)18-12(17-4)19-11/h6H,5H2,1-4H3,(H,17,18,19)
InChIKeyYRQIKENSQAFGQK-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.90
Rot. Bonds3

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

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566076) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566076
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1c(C)nn(-c2cc(C(F)(F)F)nc(NC)n2)c1C
InChIInChI=1S/C13H16F3N5/c1-5-9-7(2)20-21(8(9)3)11-6-10(13(14,15)16)18-12(17-4)19-11/h6H,5H2,1-4H3,(H,17,18,19)
InChIKeyYRQIKENSQAFGQK-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566088
2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine
CID 115001250
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]hydrazine
CID 80901527
4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565070
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
CID 114565375
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189411

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566076) is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CCc1c(C)nn(-c2cc(C(F)(F)F)nc(NC)n2)c1C.
What is the InChIKey of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YRQIKENSQAFGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-5-9-7(2)20-21(8(9)3)11-6-10(13(14,15)16)18-12(17-4)19-11/h6H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).