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

C18H19N3O4 — CID 22334821

IUPACethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(N(CCO)c3ccccc3)c12
InChIInChI=1S/C18H19N3O4/c1-3-24-18(23)14-12(2)25-17-15(14)16(19-11-20-17)21(9-10-22)13-7-5-4-6-8-13/h4-8,11,22H,3,9-10H2,1-2H3
InChIKeyRZXRFZSFRZFZGX-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.84
Rot. Bonds6

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

ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 22334821) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID22334821
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Nameethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(N(CCO)c3ccccc3)c12
InChIInChI=1S/C18H19N3O4/c1-3-24-18(23)14-12(2)25-17-15(14)16(19-11-20-17)21(9-10-22)13-7-5-4-6-8-13/h4-8,11,22H,3,9-10H2,1-2H3
InChIKeyRZXRFZSFRZFZGX-UHFFFAOYSA-N
XLogP2.84
TPSA88.69 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924955
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924864
ethyl 4-[(2-ethoxy-2-oxoethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924958
ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924934
ethyl 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651678
ethyl 4-(3-acetylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924908
ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
CID 155812162
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924881
ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 9381194
6-ethyl-N,2-dimethyl-4-oxo-N-phenylfuro[2,3-b]azepine-3-carboxamide
CID 71035967

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 22334821) is ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(N(CCO)c3ccccc3)c12.
What is the InChIKey of ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RZXRFZSFRZFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-24-18(23)14-12(2)25-17-15(14)16(19-11-20-17)21(9-10-22)13-7-5-4-6-8-13/h4-8,11,22H,3,9-10H2,1-2H3.
What are the key properties of ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 22334821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).