N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H21N3O2S — CID 23410608

IUPACN,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C15H21N3O2S/c1-6-17(7-2)12(19)8-18-11(5)16-14-13(15(18)20)9(3)10(4)21-14/h6-8H2,1-5H3
InChIKeyLROYWMBBKDGKAJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.25
Rot. Bonds4

About N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 23410608) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID23410608
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C15H21N3O2S/c1-6-17(7-2)12(19)8-18-11(5)16-14-13(15(18)20)9(3)10(4)21-14/h6-8H2,1-5H3
InChIKeyLROYWMBBKDGKAJ-UHFFFAOYSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 23411257
N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410676
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28528656
[2-(diethylamino)-2-oxoethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7904979
N-(2,3-dimethylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409147
N-(4-tert-butylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410121
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 698667
N-(4-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159271
N-(furan-2-ylmethyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410275
N,N-diethyl-2-[3-(4-fluorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 41378739
N-(2-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159273
N-(2-methyl-6-propan-2-ylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410218

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 23410608) is N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCN(CC)C(=O)Cn1c(C)nc2sc(C)c(C)c2c1=O.
What is the InChIKey of N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is LROYWMBBKDGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-17(7-2)12(19)8-18-11(5)16-14-13(15(18)20)9(3)10(4)21-14/h6-8H2,1-5H3.
What are the key properties of N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 23410608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).