6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine

C11H11F3N4OS — CID 106773709

IUPAC6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncsc1CCOc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-6-7(20-5-16-6)2-3-19-9-4-8(15)17-10(18-9)11(12,13)14/h4-5H,2-3H2,1H3,(H2,15,17,18)
InChIKeyZHEKKMHIYUEOAC-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.46
Rot. Bonds4

About 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine

6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773709) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773709
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncsc1CCOc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-6-7(20-5-16-6)2-3-19-9-4-8(15)17-10(18-9)11(12,13)14/h4-5H,2-3H2,1H3,(H2,15,17,18)
InChIKeyZHEKKMHIYUEOAC-UHFFFAOYSA-N
XLogP2.46
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 172433499
CID 172433499
CID 172438709
CID 172438709
CID 50963601
CID 50963601
CID 50980116
CID 50980116
CID 164530304
CID 164530304
CID 164530320
CID 164530320
CID 79080949
CID 79080949
CID 80858145
CID 80858145
CID 80858146
CID 80858146
CID 80858501
CID 80858501
CID 80858678
CID 80858678
CID 80909139
CID 80909139

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773709) is 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ncsc1CCOc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZHEKKMHIYUEOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-6-7(20-5-16-6)2-3-19-9-4-8(15)17-10(18-9)11(12,13)14/h4-5H,2-3H2,1H3,(H2,15,17,18).
What are the key properties of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 304.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).