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

C20H23N3O5 — CID 20924858

IUPACethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCCc3ccc(OC)c(OC)c3)c12
InChIInChI=1S/C20H23N3O5/c1-5-27-20(24)16-12(2)28-19-17(16)18(22-11-23-19)21-9-8-13-6-7-14(25-3)15(10-13)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,21,22,23)
InChIKeyWGUYVEWJHVUBEF-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.38
Rot. Bonds8

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

ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924858) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924858
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCCc3ccc(OC)c(OC)c3)c12
InChIInChI=1S/C20H23N3O5/c1-5-27-20(24)16-12(2)28-19-17(16)18(22-11-23-19)21-9-8-13-6-7-14(25-3)15(10-13)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,21,22,23)
InChIKeyWGUYVEWJHVUBEF-UHFFFAOYSA-N
XLogP3.38
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924881
ethyl 2-[[5-amino-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 22541770
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 46280360
ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
CID 155812162
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873343
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 164938822

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924858) is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(NCCc3ccc(OC)c(OC)c3)c12.
What is the InChIKey of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is WGUYVEWJHVUBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-5-27-20(24)16-12(2)28-19-17(16)18(22-11-23-19)21-9-8-13-6-7-14(25-3)15(10-13)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,21,22,23).
What are the key properties of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).