4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C9H10FN3O2 — CID 172576452

IUPAC4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1nc(F)nc2c1C(=O)NCC2
InChIInChI=1S/C9H10FN3O2/c1-2-15-8-6-5(12-9(10)13-8)3-4-11-7(6)14/h2-4H2,1H3,(H,11,14)
InChIKeyOAKBOYHHFPIVKJ-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.30
Rot. Bonds2

About 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 172576452) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID172576452
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1nc(F)nc2c1C(=O)NCC2
InChIInChI=1S/C9H10FN3O2/c1-2-15-8-6-5(12-9(10)13-8)3-4-11-7(6)14/h2-4H2,1H3,(H,11,14)
InChIKeyOAKBOYHHFPIVKJ-UHFFFAOYSA-N
XLogP0.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576404
4-Ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576450
2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576493
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576399
2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;ethane
CID 172576411
2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576431
2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576494
2-chloro-4-ethenoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576513
3-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(methylcarbamoyl)propanamide
CID 53538709
2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576412

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 172576452) is 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is CCOc1nc(F)nc2c1C(=O)NCC2.
What is the InChIKey of 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is OAKBOYHHFPIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c1-2-15-8-6-5(12-9(10)13-8)3-4-11-7(6)14/h2-4H2,1H3,(H,11,14).
What are the key properties of 4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 211.20 g/mol, XLogP of 0.30, 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-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172576452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).