1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine

C8H12FN3O — CID 88916420

IUPAC1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine
SMILESCC(N)c1cnc(OCCF)nc1
InChIInChI=1S/C8H12FN3O/c1-6(10)7-4-11-8(12-5-7)13-3-2-9/h4-6H,2-3,10H2,1H3
InChIKeyMJWNPRAPVYGGNR-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.84
Rot. Bonds4

About 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine

1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine (PubChem CID 88916420) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine
PubChem CID88916420
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine
SMILESCC(N)c1cnc(OCCF)nc1
InChIInChI=1S/C8H12FN3O/c1-6(10)7-4-11-8(12-5-7)13-3-2-9/h4-6H,2-3,10H2,1H3
InChIKeyMJWNPRAPVYGGNR-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine (CID 88916420) is 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine is CC(N)c1cnc(OCCF)nc1.
What is the InChIKey of 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine?
The InChIKey is MJWNPRAPVYGGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(10)7-4-11-8(12-5-7)13-3-2-9/h4-6H,2-3,10H2,1H3.
What are the key properties of 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine?
1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine has a molecular weight of 185.20 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 88916420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).