6-(fluoromethyl)-2-methoxypyrimidin-4-amine

C6H8FN3O — CID 105430604

IUPAC6-(fluoromethyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(CF)n1
InChIInChI=1S/C6H8FN3O/c1-11-6-9-4(3-7)2-5(8)10-6/h2H,3H2,1H3,(H2,8,9,10)
InChIKeyLCSMXZBTFYMLDF-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.54
Rot. Bonds2

About 6-(fluoromethyl)-2-methoxypyrimidin-4-amine

6-(fluoromethyl)-2-methoxypyrimidin-4-amine (PubChem CID 105430604) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 6-(fluoromethyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(fluoromethyl)-2-methoxypyrimidin-4-amine
PubChem CID105430604
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name6-(fluoromethyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(CF)n1
InChIInChI=1S/C6H8FN3O/c1-11-6-9-4(3-7)2-5(8)10-6/h2H,3H2,1H3,(H2,8,9,10)
InChIKeyLCSMXZBTFYMLDF-UHFFFAOYSA-N
XLogP0.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of 6-(fluoromethyl)-2-methoxypyrimidin-4-amine (CID 105430604) is 6-(fluoromethyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(fluoromethyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(fluoromethyl)-2-methoxypyrimidin-4-amine is COc1nc(N)cc(CF)n1.
What is the InChIKey of 6-(fluoromethyl)-2-methoxypyrimidin-4-amine?
The InChIKey is LCSMXZBTFYMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-11-6-9-4(3-7)2-5(8)10-6/h2H,3H2,1H3,(H2,8,9,10).
What are the key properties of 6-(fluoromethyl)-2-methoxypyrimidin-4-amine?
6-(fluoromethyl)-2-methoxypyrimidin-4-amine has a molecular weight of 157.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 105430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).