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

C18H19N3O2S — CID 1453222

IUPACN-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)Cc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(23)19-15(20-18)10-21(13(3)22)9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,20,23)
InChIKeyNOFQZCYTWNAELP-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.15
Rot. Bonds4

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

N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 1453222) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID1453222
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)Cc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(23)19-15(20-18)10-21(13(3)22)9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,20,23)
InChIKeyNOFQZCYTWNAELP-UHFFFAOYSA-N
XLogP3.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide (CID 1453222) is N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide is CC(=O)N(Cc1ccccc1)Cc1nc2sc(C)c(C)c2c(=O)[nH]1.
What is the InChIKey of N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is NOFQZCYTWNAELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(23)19-15(20-18)10-21(13(3)22)9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,20,23).
What are the key properties of N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide?
N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 1453222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).