5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine

C7H10FN3O — CID 70250254

IUPAC5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)c(F)c(OC)n1
InChIInChI=1S/C7H10FN3O/c1-4-5(8)6(12-3)11-7(9-2)10-4/h1-3H3,(H,9,10,11)
InChIKeyQDSJOYQBHZOHTF-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.97
Rot. Bonds2

About 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine

5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine (PubChem CID 70250254) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine
PubChem CID70250254
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)c(F)c(OC)n1
InChIInChI=1S/C7H10FN3O/c1-4-5(8)6(12-3)11-7(9-2)10-4/h1-3H3,(H,9,10,11)
InChIKeyQDSJOYQBHZOHTF-UHFFFAOYSA-N
XLogP0.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine (CID 70250254) is 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)c(F)c(OC)n1.
What is the InChIKey of 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The InChIKey is QDSJOYQBHZOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4-5(8)6(12-3)11-7(9-2)10-4/h1-3H3,(H,9,10,11).
What are the key properties of 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine?
5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine has a molecular weight of 171.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 70250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).