6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C10H14F3N3O — CID 79964246

IUPAC6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(CCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-14-9-5-7(6-17-2)15-8(16-9)3-4-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyXEGWNCCIFUIVOQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.16
Rot. Bonds5

About 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964246) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964246
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(CCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-14-9-5-7(6-17-2)15-8(16-9)3-4-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyXEGWNCCIFUIVOQ-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.16
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-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964246) is 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CNc1cc(COC)nc(CCC(F)(F)F)n1.
What is the InChIKey of 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is XEGWNCCIFUIVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-14-9-5-7(6-17-2)15-8(16-9)3-4-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-(methoxymethyl)-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.16, 5 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-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).