2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C13H16F3N5 — CID 80938482

IUPAC2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCCNc1cc(-n2ccc(C(F)(F)F)n2)nc(CC)n1
InChIInChI=1S/C13H16F3N5/c1-3-6-17-11-8-12(19-10(4-2)18-11)21-7-5-9(20-21)13(14,15)16/h5,7-8H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyMDKCMLNEJLROOD-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.07
Rot. Bonds5

About 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80938482) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80938482
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCCNc1cc(-n2ccc(C(F)(F)F)n2)nc(CC)n1
InChIInChI=1S/C13H16F3N5/c1-3-6-17-11-8-12(19-10(4-2)18-11)21-7-5-9(20-21)13(14,15)16/h5,7-8H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyMDKCMLNEJLROOD-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80840288
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
2-ethyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80942222
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80857272
N-[1-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]propan-1-amine
CID 79166250
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566082
6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939492
6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719533
[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80901191
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887866
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80938482) is 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CCCNc1cc(-n2ccc(C(F)(F)F)n2)nc(CC)n1.
What is the InChIKey of 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is MDKCMLNEJLROOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-3-6-17-11-8-12(19-10(4-2)18-11)21-7-5-9(20-21)13(14,15)16/h5,7-8H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80938482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).