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

C13H12ClN3O3 — CID 54383342

IUPACethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(Cl)ncc2c1=O
InChIInChI=1S/C13H12ClN3O3/c1-2-20-12(19)9-6-17(7-3-4-7)11-8(10(9)18)5-15-13(14)16-11/h5-7H,2-4H2,1H3
InChIKeyVBMRPHMEVLWCDA-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.96
Rot. Bonds3

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

ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 54383342) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID54383342
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Nameethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(Cl)ncc2c1=O
InChIInChI=1S/C13H12ClN3O3/c1-2-20-12(19)9-6-17(7-3-4-7)11-8(10(9)18)5-15-13(14)16-11/h5-7H,2-4H2,1H3
InChIKeyVBMRPHMEVLWCDA-UHFFFAOYSA-N
XLogP1.96
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54392198
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-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 8-cyclohexyl-5-oxo-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583351
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
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 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 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate (CID 54383342) is ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cn(C2CC2)c2nc(Cl)ncc2c1=O.
What is the InChIKey of ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VBMRPHMEVLWCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-2-20-12(19)9-6-17(7-3-4-7)11-8(10(9)18)5-15-13(14)16-11/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 293.71 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 54383342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).