2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide

C15H13N3O2S — CID 852959

IUPAC2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
SMILESCc1sc2nc(CC(N)=O)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2S/c1-8-12(9-5-3-2-4-6-9)13-14(20)17-11(7-10(16)19)18-15(13)21-8/h2-6H,7H2,1H3,(H2,16,19)(H,17,18,20)
InChIKeyCVDSPQSYTYGMNA-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.99
Rot. Bonds3

About 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide

2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide (PubChem CID 852959) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
PubChem CID852959
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
SMILESCc1sc2nc(CC(N)=O)[nH]c(=O)c2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2S/c1-8-12(9-5-3-2-4-6-9)13-14(20)17-11(7-10(16)19)18-15(13)21-8/h2-6H,7H2,1H3,(H2,16,19)(H,17,18,20)
InChIKeyCVDSPQSYTYGMNA-UHFFFAOYSA-N
XLogP1.99
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-Methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 209395
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
2-(Chloromethyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 146058
4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7-tetrahydro-3-amino-2-(phenylmethyl)-
CID 915997
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
CID 2414076
5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 709311
2-(morpholin-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2096690
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-phenyl-
CID 833735
5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 209396

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide (CID 852959) is 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide is Cc1sc2nc(CC(N)=O)[nH]c(=O)c2c1-c1ccccc1.
What is the InChIKey of 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The InChIKey is CVDSPQSYTYGMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-8-12(9-5-3-2-4-6-9)13-14(20)17-11(7-10(16)19)18-15(13)21-8/h2-6H,7H2,1H3,(H2,16,19)(H,17,18,20).
What are the key properties of 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 852959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).