6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H12F3N3O — CID 62318940

IUPAC6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3O/c1-20-7-10-6-11(17)19-12(18-10)8-3-2-4-9(5-8)13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyOVVNZSNZABPRON-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.89
Rot. Bonds3

About 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 62318940) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID62318940
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3O/c1-20-7-10-6-11(17)19-12(18-10)8-3-2-4-9(5-8)13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyOVVNZSNZABPRON-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 62318940) is 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is COCc1cc(N)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is OVVNZSNZABPRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-20-7-10-6-11(17)19-12(18-10)8-3-2-4-9(5-8)13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19).
What are the key properties of 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 283.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62318940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).