ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate

C19H16N4O3S — CID 69284092

IUPACethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccco3)nc(-c3cccc(N)c3)c2c1N
InChIInChI=1S/C19H16N4O3S/c1-2-25-19(24)16-14(21)13-15(10-5-3-6-11(20)9-10)22-17(23-18(13)27-16)12-7-4-8-26-12/h3-9H,2,20-21H2,1H3
InChIKeyRYIVETKTHCLXRH-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.96
Rot. Bonds4

About ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 69284092) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID69284092
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Nameethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccco3)nc(-c3cccc(N)c3)c2c1N
InChIInChI=1S/C19H16N4O3S/c1-2-25-19(24)16-14(21)13-15(10-5-3-6-11(20)9-10)22-17(23-18(13)27-16)12-7-4-8-26-12/h3-9H,2,20-21H2,1H3
InChIKeyRYIVETKTHCLXRH-UHFFFAOYSA-N
XLogP3.96
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 69284092) is ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(-c3ccco3)nc(-c3cccc(N)c3)c2c1N.
What is the InChIKey of ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RYIVETKTHCLXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-25-19(24)16-14(21)13-15(10-5-3-6-11(20)9-10)22-17(23-18(13)27-16)12-7-4-8-26-12/h3-9H,2,20-21H2,1H3.
What are the key properties of ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 380.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 69284092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).