5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine

C8H12FN3O — CID 102699095

IUPAC5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine
SMILESCOC(C)CNc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O/c1-6(13-2)3-10-8-11-4-7(9)5-12-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyMIUDWJLVMVHSDV-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.06
Rot. Bonds4

About 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine

5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine (PubChem CID 102699095) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine
PubChem CID102699095
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine
SMILESCOC(C)CNc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O/c1-6(13-2)3-10-8-11-4-7(9)5-12-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyMIUDWJLVMVHSDV-UHFFFAOYSA-N
XLogP1.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.06
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)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine (CID 102699095) is 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine is COC(C)CNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine?
The InChIKey is MIUDWJLVMVHSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(13-2)3-10-8-11-4-7(9)5-12-8/h4-6H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine?
5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine has a molecular weight of 185.20 g/mol, XLogP of 1.06, 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)pyrimidin-2-amine is sourced from PubChem (CID 102699095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).