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

C17H17N3O3 — CID 20924930

IUPACethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C17H17N3O3/c1-3-22-17(21)13-11(2)23-16-14(13)15(19-10-20-16)18-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyLYHFHRRJKSESMU-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.32
Rot. Bonds5

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

ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924930) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924930
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C17H17N3O3/c1-3-22-17(21)13-11(2)23-16-14(13)15(19-10-20-16)18-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyLYHFHRRJKSESMU-UHFFFAOYSA-N
XLogP3.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2-ethoxy-2-oxoethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924958
ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924864
ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924881
ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
CID 155812162
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924858
ethyl 6-methyl-4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20924937
ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924934
ethyl 4-(3-acetylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924908
ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate
CID 20924992
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 46280360
ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
CID 852511
ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 22334821

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924930) is ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(NCc3ccccc3)c12.
What is the InChIKey of ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is LYHFHRRJKSESMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-22-17(21)13-11(2)23-16-14(13)15(19-10-20-16)18-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).