2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C19H21N3O2S — CID 2108029

IUPAC2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)19(24)16-12(3)15-17(23)20-14(21-18(15)25-16)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,20,21,23)
InChIKeyMHVIYOQNFDBKFZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.37
Rot. Bonds5

About 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 2108029) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID2108029
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)19(24)16-12(3)15-17(23)20-14(21-18(15)25-16)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,20,21,23)
InChIKeyMHVIYOQNFDBKFZ-UHFFFAOYSA-N
XLogP3.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 2108029) is 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C.
What is the InChIKey of 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MHVIYOQNFDBKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-22(5-2)19(24)16-12(3)15-17(23)20-14(21-18(15)25-16)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,20,21,23).
What are the key properties of 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 2108029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).