4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine

C8H12FN3O2 — CID 45093904

IUPAC4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine
SMILESCCOc1ncnc(OCCF)c1N
InChIInChI=1S/C8H12FN3O2/c1-2-13-7-6(10)8(12-5-11-7)14-4-3-9/h5H,2-4,10H2,1H3
InChIKeyLBMQKSGOTJEIPL-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.81
Rot. Bonds5

About 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine

4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine (PubChem CID 45093904) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine
PubChem CID45093904
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine
SMILESCCOc1ncnc(OCCF)c1N
InChIInChI=1S/C8H12FN3O2/c1-2-13-7-6(10)8(12-5-11-7)14-4-3-9/h5H,2-4,10H2,1H3
InChIKeyLBMQKSGOTJEIPL-UHFFFAOYSA-N
XLogP0.81
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine?
The IUPAC name of 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine (CID 45093904) is 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine?
The canonical SMILES for 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine is CCOc1ncnc(OCCF)c1N.
What is the InChIKey of 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine?
The InChIKey is LBMQKSGOTJEIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-2-13-7-6(10)8(12-5-11-7)14-4-3-9/h5H,2-4,10H2,1H3.
What are the key properties of 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine?
4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine has a molecular weight of 201.20 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-fluoroethoxy)pyrimidin-5-amine is sourced from PubChem (CID 45093904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).