5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine

C8H12FN3O2 — CID 164907959

IUPAC5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCF
InChIInChI=1S/C8H12FN3O2/c1-13-6-5(3-4-9)7(14-2)12-8(10)11-6/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeyQOWXBOPRRWYELZ-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.59
Rot. Bonds4

About 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine

5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 164907959) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID164907959
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCF
InChIInChI=1S/C8H12FN3O2/c1-13-6-5(3-4-9)7(14-2)12-8(10)11-6/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeyQOWXBOPRRWYELZ-UHFFFAOYSA-N
XLogP0.59
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine (CID 164907959) is 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine is COc1nc(N)nc(OC)c1CCF.
What is the InChIKey of 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is QOWXBOPRRWYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-13-6-5(3-4-9)7(14-2)12-8(10)11-6/h3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 201.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 164907959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).