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

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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).