7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide

C14H11N3O2S — CID 155811314

IUPAC7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2c(=O)[nH]cnc12
InChIInChI=1S/C14H11N3O2S/c1-8-10-12(13(18)16-7-15-10)20-11(8)14(19)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,17,19)(H,15,16,18)
InChIKeyLEPTVTORYOAYOL-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.55
Rot. Bonds2

About 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide

7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 155811314) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID155811314
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2c(=O)[nH]cnc12
InChIInChI=1S/C14H11N3O2S/c1-8-10-12(13(18)16-7-15-10)20-11(8)14(19)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,17,19)(H,15,16,18)
InChIKeyLEPTVTORYOAYOL-UHFFFAOYSA-N
XLogP2.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
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
2-(4-Oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 16279645
N-(2,4-Dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 606276
7-Phenyl-3-(o-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 78320479
7-Phenyl-3-(P-tolyl)thieno[3,2-D]pyrimidin-4(3H)-one
CID 78320481
7-Phenyl-3-(3-vinylphenyl)thieno[3,2-D]pyrimidin-4(3H)-one
CID 78320802
7-Phenyl-3-(4-vinylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 78320803

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide (CID 155811314) is 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccccc2)sc2c(=O)[nH]cnc12.
What is the InChIKey of 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is LEPTVTORYOAYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-8-10-12(13(18)16-7-15-10)20-11(8)14(19)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,17,19)(H,15,16,18).
What are the key properties of 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-phenyl-3H-thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155811314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).