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

C16H15N3O2S — CID 606276

IUPACN-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-8-4-5-11(9(2)6-8)19-15(21)13-10(3)12-14(20)17-7-18-16(12)22-13/h4-7H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyLEDQFSDRKAEFRR-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.16
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 606276) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID606276
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-8-4-5-11(9(2)6-8)19-15(21)13-10(3)12-14(20)17-7-18-16(12)22-13/h4-7H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyLEDQFSDRKAEFRR-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{2-[(5-Methyl-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidine-6-Carbonyl)amino]phenyl}acetic Acid
CID 118797288
N-[5-(4-Methylpiperazine-1-Carbonyl)[1,1'-Biphenyl]-2-Yl]-4-Oxo-3,4-Dihydrothieno[3,2-D]pyrimidine-7-Carboxamide
CID 135567179
4-methyl-2-oxo-N-(4-propan-2-ylphenyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 16017914
5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 873444
N-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 2102984
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide
CID 6491564
5-methyl-N-(2-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 735015
N-(3,5-dimethylphenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 866571
9-methyl-N-(2-methylphenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 866646
2-[(1,4-Dihydro-5,6-Dimethyl-4-Oxothieno[2,3-d]Pyrimidin-2-ylThio]-N-(2-Fluorophenyl)-Acetamide
CID 1460286
N-Benzyl-2-(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimid in-2-ylsulfanyl)-acetamide
CID 1832998

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 606276) is N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LEDQFSDRKAEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-8-4-5-11(9(2)6-8)19-15(21)13-10(3)12-14(20)17-7-18-16(12)22-13/h4-7H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 606276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).