5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine

C9H14FN3O — CID 102809645

IUPAC5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine
SMILESCOC(C)CNc1ncnc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-6(14-3)4-11-9-8(10)7(2)12-5-13-9/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyILZVHUFJDFSMLT-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.37
Rot. Bonds4

About 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine

5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine (PubChem CID 102809645) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine
PubChem CID102809645
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine
SMILESCOC(C)CNc1ncnc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-6(14-3)4-11-9-8(10)7(2)12-5-13-9/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyILZVHUFJDFSMLT-UHFFFAOYSA-N
XLogP1.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine (CID 102809645) is 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine is COC(C)CNc1ncnc(C)c1F.
What is the InChIKey of 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine?
The InChIKey is ILZVHUFJDFSMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6(14-3)4-11-9-8(10)7(2)12-5-13-9/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine?
5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine has a molecular weight of 199.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxypropyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 102809645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).