ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate

C21H17N3O3 — CID 14639123

IUPACethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1
InChIInChI=1S/C21H17N3O3/c1-2-26-21(25)19-23-18(22)16-15(13-9-5-3-6-10-13)17(27-20(16)24-19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,22,23,24)
InChIKeyVKTONOQYRSWQBN-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.32
Rot. Bonds4

About ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate

ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate (PubChem CID 14639123) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
PubChem CID14639123
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Nameethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1
InChIInChI=1S/C21H17N3O3/c1-2-26-21(25)19-23-18(22)16-15(13-9-5-3-6-10-13)17(27-20(16)24-19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,22,23,24)
InChIKeyVKTONOQYRSWQBN-UHFFFAOYSA-N
XLogP4.32
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate (CID 14639123) is ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate is CCOC(=O)c1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1.
What is the InChIKey of ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate?
The InChIKey is VKTONOQYRSWQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-26-21(25)19-23-18(22)16-15(13-9-5-3-6-10-13)17(27-20(16)24-19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,22,23,24).
What are the key properties of ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate?
ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 14639123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).