5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine

C8H12FN3O — CID 164908431

IUPAC5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1CCCF
InChIInChI=1S/C8H12FN3O/c1-13-7-6(3-2-4-9)5-11-8(10)12-7/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyQQODDEMEJNEXLK-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.97
Rot. Bonds4

About 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine

5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine (PubChem CID 164908431) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine
PubChem CID164908431
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1CCCF
InChIInChI=1S/C8H12FN3O/c1-13-7-6(3-2-4-9)5-11-8(10)12-7/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyQQODDEMEJNEXLK-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine (CID 164908431) is 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine is COc1nc(N)ncc1CCCF.
What is the InChIKey of 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine?
The InChIKey is QQODDEMEJNEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-13-7-6(3-2-4-9)5-11-8(10)12-7/h5H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine?
5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine has a molecular weight of 185.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 164908431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).