5-fluoro-4-methoxypyrimidin-2-amine

C5H6FN3O — CID 45080519

IUPAC5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1F
InChIInChI=1S/C5H6FN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChIKeyITCBVCRPSPSEMX-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.21
Rot. Bonds1

About 5-fluoro-4-methoxypyrimidin-2-amine

5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 45080519) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID45080519
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1F
InChIInChI=1S/C5H6FN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChIKeyITCBVCRPSPSEMX-UHFFFAOYSA-N
XLogP0.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxypyrimidin-2-amine (CID 45080519) is 5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxypyrimidin-2-amine is COc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is ITCBVCRPSPSEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9).
What are the key properties of 5-fluoro-4-methoxypyrimidin-2-amine?
5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 143.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 45080519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).