6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H12F3N3O — CID 62318943

IUPAC6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-13-7-3-6(5-16-2)14-8(15-7)4-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyBRPSRQAHHYXHJW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.77
Rot. Bonds4

About 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 62318943) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID62318943
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-13-7-3-6(5-16-2)14-8(15-7)4-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyBRPSRQAHHYXHJW-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 62318943) is 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1cc(COC)nc(CC(F)(F)F)n1.
What is the InChIKey of 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is BRPSRQAHHYXHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-13-7-3-6(5-16-2)14-8(15-7)4-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 62318943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).