(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone

C15H19N3OS2 — CID 56815920

IUPAC(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone
SMILESCCc1nc(C)c2c(C)c(C(=O)N3CCSCC3)sc2n1
InChIInChI=1S/C15H19N3OS2/c1-4-11-16-10(3)12-9(2)13(21-14(12)17-11)15(19)18-5-7-20-8-6-18/h4-8H2,1-3H3
InChIKeyMQVMLEJOTNGODY-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.06
Rot. Bonds2

About (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone

(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone (PubChem CID 56815920) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone
PubChem CID56815920
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone
SMILESCCc1nc(C)c2c(C)c(C(=O)N3CCSCC3)sc2n1
InChIInChI=1S/C15H19N3OS2/c1-4-11-16-10(3)12-9(2)13(21-14(12)17-11)15(19)18-5-7-20-8-6-18/h4-8H2,1-3H3
InChIKeyMQVMLEJOTNGODY-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(1,4-thiazepan-4-yl)methanone
CID 75403408
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 18156519
2-[4-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045481
[4-(3-chlorophenyl)piperazin-1-yl]-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 33476207
(2,4-dimethylpiperazin-1-yl)-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 71877160
azepan-1-yl-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43043987
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37334279
ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate
CID 43044207
2-ethyl-4,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30469334
2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35252949
2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 94173419
(4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone
CID 38389727

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone (CID 56815920) is (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone is CCc1nc(C)c2c(C)c(C(=O)N3CCSCC3)sc2n1.
What is the InChIKey of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is MQVMLEJOTNGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-4-11-16-10(3)12-9(2)13(21-14(12)17-11)15(19)18-5-7-20-8-6-18/h4-8H2,1-3H3.
What are the key properties of (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone?
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 321.47 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 56815920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).