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

C18H22N6O4S2 — CID 71035972

IUPAC3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2ncn(CCCN(C)C)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C18H22N6O4S2/c1-11-14(16(25)22-12-5-6-13(20-9-12)30(19,27)28)15-17(29-11)21-10-24(18(15)26)8-4-7-23(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,25)(H2,19,27,28)
InChIKeyJLNZHRIINNMCSB-UHFFFAOYSA-N
MW450.55 g/mol
LogP1.01
Rot. Bonds7

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

3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71035972) has the molecular formula C18H22N6O4S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID71035972
Molecular FormulaC18H22N6O4S2
Molecular Weight450.55 g/mol
Exact Mass450.11
IUPAC Name3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2ncn(CCCN(C)C)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C18H22N6O4S2/c1-11-14(16(25)22-12-5-6-13(20-9-12)30(19,27)28)15-17(29-11)21-10-24(18(15)26)8-4-7-23(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,25)(H2,19,27,28)
InChIKeyJLNZHRIINNMCSB-UHFFFAOYSA-N
XLogP1.01
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 71035972) is 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide is Cc1sc2ncn(CCCN(C)C)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JLNZHRIINNMCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4S2/c1-11-14(16(25)22-12-5-6-13(20-9-12)30(19,27)28)15-17(29-11)21-10-24(18(15)26)8-4-7-23(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,25)(H2,19,27,28).
What are the key properties of 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide?
3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 450.55 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridinyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71035972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).