2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine

C13H14FN3O — CID 55062585

IUPAC2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-8-3-4-9(5-11(8)14)13-16-10(7-18-2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyIDAUVDYSUKUUJZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 55062585) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID55062585
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-8-3-4-9(5-11(8)14)13-16-10(7-18-2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyIDAUVDYSUKUUJZ-UHFFFAOYSA-N
XLogP2.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 55062585) is 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2ccc(C)c(F)c2)n1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is IDAUVDYSUKUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-3-4-9(5-11(8)14)13-16-10(7-18-2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 55062585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).