6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide

C19H22N6O5S2 — CID 71035748

IUPAC6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C19H22N6O5S2/c1-12-15(17(26)23-13-2-3-14(21-10-13)32(20,28)29)16-18(31-12)22-11-25(19(16)27)5-4-24-6-8-30-9-7-24/h2-3,10-11H,4-9H2,1H3,(H,23,26)(H2,20,28,29)
InChIKeyAGGVVNONNIIZGA-UHFFFAOYSA-N
MW478.56 g/mol
LogP0.39
Rot. Bonds6

About 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide

6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71035748) has the molecular formula C19H22N6O5S2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID71035748
Molecular FormulaC19H22N6O5S2
Molecular Weight478.56 g/mol
Exact Mass478.11
IUPAC Name6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C19H22N6O5S2/c1-12-15(17(26)23-13-2-3-14(21-10-13)32(20,28)29)16-18(31-12)22-11-25(19(16)27)5-4-24-6-8-30-9-7-24/h2-3,10-11H,4-9H2,1H3,(H,23,26)(H2,20,28,29)
InChIKeyAGGVVNONNIIZGA-UHFFFAOYSA-N
XLogP0.39
TPSA149.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 71035748) is 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide is Cc1sc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AGGVVNONNIIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O5S2/c1-12-15(17(26)23-13-2-3-14(21-10-13)32(20,28)29)16-18(31-12)22-11-25(19(16)27)5-4-24-6-8-30-9-7-24/h2-3,10-11H,4-9H2,1H3,(H,23,26)(H2,20,28,29).
What are the key properties of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71035748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).