ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate

C11H11ClN2O3 — CID 53214240

IUPACethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2c(C)c(C)oc2n1
InChIInChI=1S/C11H11ClN2O3/c1-4-16-11(15)9-13-8(12)7-5(2)6(3)17-10(7)14-9/h4H2,1-3H3
InChIKeyVIIIZEKWCDVRFK-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.67
Rot. Bonds2

About ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate

ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate (PubChem CID 53214240) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate
PubChem CID53214240
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Nameethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2c(C)c(C)oc2n1
InChIInChI=1S/C11H11ClN2O3/c1-4-16-11(15)9-13-8(12)7-5(2)6(3)17-10(7)14-9/h4H2,1-3H3
InChIKeyVIIIZEKWCDVRFK-UHFFFAOYSA-N
XLogP2.67
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
CID 10445251
ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
CID 14639123
ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 86624427
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
ethyl 4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxylate
CID 169163245
ethyl 4-[[(2R)-butan-2-yl]amino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 92726131
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
CID 23364517
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate
CID 168887303
ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349768

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate (CID 53214240) is ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate is CCOC(=O)c1nc(Cl)c2c(C)c(C)oc2n1.
What is the InChIKey of ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate?
The InChIKey is VIIIZEKWCDVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-4-16-11(15)9-13-8(12)7-5(2)6(3)17-10(7)14-9/h4H2,1-3H3.
What are the key properties of ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate?
ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate has a molecular weight of 254.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-5,6-dimethylfuro[2,3-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 53214240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).