4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C9H12FN3O — CID 172576450

IUPAC4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1nc(F)nc2c1CNCC2
InChIInChI=1S/C9H12FN3O/c1-2-14-8-6-5-11-4-3-7(6)12-9(10)13-8/h11H,2-5H2,1H3
InChIKeyOTSCHJVMOKNZSG-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.66
Rot. Bonds2

About 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 172576450) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID172576450
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1nc(F)nc2c1CNCC2
InChIInChI=1S/C9H12FN3O/c1-2-14-8-6-5-11-4-3-7(6)12-9(10)13-8/h11H,2-5H2,1H3
InChIKeyOTSCHJVMOKNZSG-UHFFFAOYSA-N
XLogP0.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 172576450) is 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOc1nc(F)nc2c1CNCC2.
What is the InChIKey of 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is OTSCHJVMOKNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-2-14-8-6-5-11-4-3-7(6)12-9(10)13-8/h11H,2-5H2,1H3.
What are the key properties of 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 197.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).