2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C13H13F2N3O — CID 62319135

IUPAC2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3O/c1-16-12-6-9(7-19-2)17-13(18-12)8-3-4-10(14)11(15)5-8/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyROCLISHLLTUPHA-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.61
Rot. Bonds4

About 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 62319135) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID62319135
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3O/c1-16-12-6-9(7-19-2)17-13(18-12)8-3-4-10(14)11(15)5-8/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyROCLISHLLTUPHA-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 62319135) is 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is ROCLISHLLTUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-16-12-6-9(7-19-2)17-13(18-12)8-3-4-10(14)11(15)5-8/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 265.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62319135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).