5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine

C9H14FN3O2 — CID 164908196

IUPAC5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCCF
InChIInChI=1S/C9H14FN3O2/c1-14-7-6(4-3-5-10)8(15-2)13-9(11)12-7/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHKPXIQXXQXVKHC-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.98
Rot. Bonds5

About 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine

5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 164908196) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID164908196
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCCF
InChIInChI=1S/C9H14FN3O2/c1-14-7-6(4-3-5-10)8(15-2)13-9(11)12-7/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHKPXIQXXQXVKHC-UHFFFAOYSA-N
XLogP0.98
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine (CID 164908196) is 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine is COc1nc(N)nc(OC)c1CCCF.
What is the InChIKey of 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is HKPXIQXXQXVKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-14-7-6(4-3-5-10)8(15-2)13-9(11)12-7/h3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 215.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 164908196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).