ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate

C25H24N4O4 — CID 155812162

IUPACethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(Nc3ccc(C(=O)NCCc4ccccc4)cc3)c12
InChIInChI=1S/C25H24N4O4/c1-3-32-25(31)20-16(2)33-24-21(20)22(27-15-28-24)29-19-11-9-18(10-12-19)23(30)26-14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyRADPAOGUEGQYGU-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.42
Rot. Bonds8

About ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 155812162) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID155812162
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Nameethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(Nc3ccc(C(=O)NCCc4ccccc4)cc3)c12
InChIInChI=1S/C25H24N4O4/c1-3-32-25(31)20-16(2)33-24-21(20)22(27-15-28-24)29-19-11-9-18(10-12-19)23(30)26-14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyRADPAOGUEGQYGU-UHFFFAOYSA-N
XLogP4.42
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

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-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924864
ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924934
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924858
ethyl 4-[(2-ethoxy-2-oxoethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924958
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
ethyl 4-[(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzoate
CID 52998633
ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925039
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate (CID 155812162) is ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(C(=O)NCCc4ccccc4)cc3)c12.
What is the InChIKey of ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RADPAOGUEGQYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-3-32-25(31)20-16(2)33-24-21(20)22(27-15-28-24)29-19-11-9-18(10-12-19)23(30)26-14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 444.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 155812162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).