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

C18H19N3O4 — CID 20924864

IUPACethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(Nc3ccccc3OCC)c12
InChIInChI=1S/C18H19N3O4/c1-4-23-13-9-7-6-8-12(13)21-16-15-14(18(22)24-5-2)11(3)25-17(15)20-10-19-16/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyHCVIWPWQBVUONM-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.85
Rot. Bonds6

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

ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924864) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924864
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Nameethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(Nc3ccccc3OCC)c12
InChIInChI=1S/C18H19N3O4/c1-4-23-13-9-7-6-8-12(13)21-16-15-14(18(22)24-5-2)11(3)25-17(15)20-10-19-16/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyHCVIWPWQBVUONM-UHFFFAOYSA-N
XLogP3.85
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924934
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
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 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
CID 155812162
ethyl 6-methyl-4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20924937
ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924881
ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340158
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924858
ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340159
ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 22334821
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 46280360

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924864) is ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(Nc3ccccc3OCC)c12.
What is the InChIKey of ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is HCVIWPWQBVUONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-23-13-9-7-6-8-12(13)21-16-15-14(18(22)24-5-2)11(3)25-17(15)20-10-19-16/h6-10H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).