ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C18H19N3O3 — CID 20924934

IUPACethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(Nc3cc(C)ccc3C)c12
InChIInChI=1S/C18H19N3O3/c1-5-23-18(22)14-12(4)24-17-15(14)16(19-9-20-17)21-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyRQEZGSWDIYVTFO-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.07
Rot. Bonds4

About ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924934) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924934
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(Nc3cc(C)ccc3C)c12
InChIInChI=1S/C18H19N3O3/c1-5-23-18(22)14-12(4)24-17-15(14)16(19-9-20-17)21-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyRQEZGSWDIYVTFO-UHFFFAOYSA-N
XLogP4.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924864
ethyl 4-(3-acetylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924908
ethyl 4-[(2-ethoxy-2-oxoethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924958
ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924881
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924858
ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
CID 155812162
ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340158
ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924955
ethyl 6-methyl-4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20924937
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 46280360
ethyl 6-methyl-4-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20924926

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924934) is ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(Nc3cc(C)ccc3C)c12.
What is the InChIKey of ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RQEZGSWDIYVTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-5-23-18(22)14-12(4)24-17-15(14)16(19-9-20-17)21-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H,19,20,21).
What are the key properties of ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).