ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate

C23H21N3O3 — CID 46855042

IUPACethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H21N3O3/c1-2-28-18(27)13-14-24-22-20-19(16-9-5-3-6-10-16)21(17-11-7-4-8-12-17)29-23(20)26-15-25-22/h3-12,15H,2,13-14H2,1H3,(H,24,25,26)
InChIKeyDYFZERNFYWXNIZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.92
Rot. Bonds7

About ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate

ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 46855042) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate
PubChem CID46855042
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Nameethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H21N3O3/c1-2-28-18(27)13-14-24-22-20-19(16-9-5-3-6-10-16)21(17-11-7-4-8-12-17)29-23(20)26-15-25-22/h3-12,15H,2,13-14H2,1H3,(H,24,25,26)
InChIKeyDYFZERNFYWXNIZ-UHFFFAOYSA-N
XLogP4.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate (CID 46855042) is ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate is CCOC(=O)CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is DYFZERNFYWXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-28-18(27)13-14-24-22-20-19(16-9-5-3-6-10-16)21(17-11-7-4-8-12-17)29-23(20)26-15-25-22/h3-12,15H,2,13-14H2,1H3,(H,24,25,26).
What are the key properties of ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate?
ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 387.44 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 46855042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).