2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine

C8H10F3N3O — CID 83889810

IUPAC2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
SMILESCOc1cc(CCN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-15-6-4-5(2-3-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3
InChIKeySBGWHGDXDPUHHY-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.01
Rot. Bonds3

About 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine

2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine (PubChem CID 83889810) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
PubChem CID83889810
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
SMILESCOc1cc(CCN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-15-6-4-5(2-3-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3
InChIKeySBGWHGDXDPUHHY-UHFFFAOYSA-N
XLogP1.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-6-methoxypyrimidin-2-amine
CID 83851816
2-(2-ethyl-6-methoxypyrimidin-4-yl)ethanamine
CID 83851900
3-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)propan-1-amine
CID 83884578
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898
(2-bromo-6-methoxypyrimidin-4-yl)methanamine
CID 83852368
2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine
CID 63892597
(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)pyridin-4-amine
CID 118824129
3-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridin-2-amine
CID 133086223
[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 122198441
4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790373
5,6-dichloro-2-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylmethyl]-1H-benzimidazole
CID 146291283

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine (CID 83889810) is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine is COc1cc(CCN)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
The InChIKey is SBGWHGDXDPUHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-15-6-4-5(2-3-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3.
What are the key properties of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine?
2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine has a molecular weight of 221.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 83889810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).