N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide

C20H22N4O2S — CID 58228957

IUPACN-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCNC(=O)c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C20H22N4O2S/c1-2-21-20(25)16-13-27-17-12-22-18(23-19(16)17)11-14-3-5-15(6-4-14)24-7-9-26-10-8-24/h3-6,12-13H,2,7-11H2,1H3,(H,21,25)
InChIKeyHRRYVZATLPHFDP-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.87
Rot. Bonds5

About N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide

N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58228957) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58228957
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCNC(=O)c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C20H22N4O2S/c1-2-21-20(25)16-13-27-17-12-22-18(23-19(16)17)11-14-3-5-15(6-4-14)24-7-9-26-10-8-24/h3-6,12-13H,2,7-11H2,1H3,(H,21,25)
InChIKeyHRRYVZATLPHFDP-UHFFFAOYSA-N
XLogP2.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58228957) is N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide is CCNC(=O)c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12.
What is the InChIKey of N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is HRRYVZATLPHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-21-20(25)16-13-27-17-12-22-18(23-19(16)17)11-14-3-5-15(6-4-14)24-7-9-26-10-8-24/h3-6,12-13H,2,7-11H2,1H3,(H,21,25).
What are the key properties of N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58228957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).