5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C15H13N3O2S — CID 735015

IUPAC5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-5-3-4-6-10(8)18-14(20)12-9(2)11-13(19)16-7-17-15(11)21-12/h3-7H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyCMPOCJSCHUNRAE-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.85
Rot. Bonds2

About 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 735015) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID735015
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-5-3-4-6-10(8)18-14(20)12-9(2)11-13(19)16-7-17-15(11)21-12/h3-7H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyCMPOCJSCHUNRAE-UHFFFAOYSA-N
XLogP2.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 735015) is 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccccc1NC(=O)c1sc2nc[nH]c(=O)c2c1C.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CMPOCJSCHUNRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-8-5-3-4-6-10(8)18-14(20)12-9(2)11-13(19)16-7-17-15(11)21-12/h3-7H,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 735015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).