ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate

C15H17N3O3S — CID 54392198

IUPACethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(SCC)ncc2c1=O
InChIInChI=1S/C15H17N3O3S/c1-3-21-14(20)11-8-18(9-5-6-9)13-10(12(11)19)7-16-15(17-13)22-4-2/h7-9H,3-6H2,1-2H3
InChIKeyVHKRNDXDLLZCOD-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.42
Rot. Bonds5

About ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 54392198) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID54392198
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(SCC)ncc2c1=O
InChIInChI=1S/C15H17N3O3S/c1-3-21-14(20)11-8-18(9-5-6-9)13-10(12(11)19)7-16-15(17-13)22-4-2/h7-9H,3-6H2,1-2H3
InChIKeyVHKRNDXDLLZCOD-UHFFFAOYSA-N
XLogP2.42
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54383342
ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70240562
ethyl 1-cyclopropyl-7,8,9-trifluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
CID 18549164
ethyl 8-cyclohexyl-5-oxo-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583351
ethyl 8-cyclohexyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 68584492
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149
ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 11002551
ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 22167225
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate
CID 10337378

Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate (CID 54392198) is ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cn(C2CC2)c2nc(SCC)ncc2c1=O.
What is the InChIKey of ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VHKRNDXDLLZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-21-14(20)11-8-18(9-5-6-9)13-10(12(11)19)7-16-15(17-13)22-4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 319.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 54392198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).