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

C11H12F3N5 — CID 80868236

IUPACN-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(-n2cc(C(F)(F)F)cn2)nc(C)n1
InChIInChI=1S/C11H12F3N5/c1-3-15-9-4-10(18-7(2)17-9)19-6-8(5-16-19)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyRFORPGTTWPFMLD-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.42
Rot. Bonds3

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

N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80868236) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80868236
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(-n2cc(C(F)(F)F)cn2)nc(C)n1
InChIInChI=1S/C11H12F3N5/c1-3-15-9-4-10(18-7(2)17-9)19-6-8(5-16-19)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18)
InChIKeyRFORPGTTWPFMLD-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

2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80852989
N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868324
4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 113378886
2-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847527
2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
CID 80966267
6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966016
[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177
N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 104535971
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80856995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80868236) is N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CCNc1cc(-n2cc(C(F)(F)F)cn2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is RFORPGTTWPFMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-3-15-9-4-10(18-7(2)17-9)19-6-8(5-16-19)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]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 N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80868236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).