[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine

C8H10F3N3O2 — CID 105498746

IUPAC[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOc1nc(OC)c(CN)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-15-6-4(3-12)5(8(9,10)11)13-7(14-6)16-2/h3,12H2,1-2H3
InChIKeyYBIWPBRKYIARIN-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.97
Rot. Bonds3

About [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 105498746) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID105498746
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOc1nc(OC)c(CN)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-15-6-4(3-12)5(8(9,10)11)13-7(14-6)16-2/h3,12H2,1-2H3
InChIKeyYBIWPBRKYIARIN-UHFFFAOYSA-N
XLogP0.97
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 105498746) is [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine is COc1nc(OC)c(CN)c(C(F)(F)F)n1.
What is the InChIKey of [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is YBIWPBRKYIARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-15-6-4(3-12)5(8(9,10)11)13-7(14-6)16-2/h3,12H2,1-2H3.
What are the key properties of [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 237.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 105498746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).