2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide

C19H21N3O2S — CID 23410675

IUPAC2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(=O)NCC(C)C
InChIInChI=1S/C19H21N3O2S/c1-12(2)10-20-17(23)11-22-13(3)21-18-15(19(22)24)9-16(25-18)14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyDKVVQXMGMYMMCF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide

2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 23410675) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID23410675
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(=O)NCC(C)C
InChIInChI=1S/C19H21N3O2S/c1-12(2)10-20-17(23)11-22-13(3)21-18-15(19(22)24)9-16(25-18)14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyDKVVQXMGMYMMCF-UHFFFAOYSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide (CID 23410675) is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide is Cc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(=O)NCC(C)C.
What is the InChIKey of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is DKVVQXMGMYMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12(2)10-20-17(23)11-22-13(3)21-18-15(19(22)24)9-16(25-18)14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 23410675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).