N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C17H17N3O2S — CID 39084664

IUPACN-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)sc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C17H17N3O2S/c1-10-13-16(19-11(2)20(3)17(13)22)23-14(10)15(21)18-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyRPRHGHMFMVSORR-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.54
Rot. Bonds3

About N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 39084664) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID39084664
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)sc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C17H17N3O2S/c1-10-13-16(19-11(2)20(3)17(13)22)23-14(10)15(21)18-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyRPRHGHMFMVSORR-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084661
N-benzyl-N,2,3,5-tetramethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23766608
N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084711
N-(2-methoxyethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084684
2,3,5-trimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084705
3-benzyl-N-[(4-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496565
N-benzyl-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5159971
2,3,5-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 52985518
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
2-benzyl-5-methyl-4-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 24551317
N-benzyl-2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 34931233
4-(azepan-1-yl)-N-benzyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 22585757

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 39084664) is N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccccc2)sc2nc(C)n(C)c(=O)c12.
What is the InChIKey of N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RPRHGHMFMVSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-13-16(19-11(2)20(3)17(13)22)23-14(10)15(21)18-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 39084664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).