2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C13H14FN3O — CID 55062732

IUPAC2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-15-12-7-11(8-18-2)16-13(17-12)9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyPVYHLRTXAAOBGE-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 55062732) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID55062732
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-15-12-7-11(8-18-2)16-13(17-12)9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyPVYHLRTXAAOBGE-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 55062732) is 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is PVYHLRTXAAOBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-15-12-7-11(8-18-2)16-13(17-12)9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 55062732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).