(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C22H28N4OS2 — CID 30536665

IUPAC(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)N3CCN(Cc4cccs4)CC3)c(C)c12
InChIInChI=1S/C22H28N4OS2/c1-14-17-15(2)23-21(22(3,4)5)24-19(17)29-18(14)20(27)26-10-8-25(9-11-26)13-16-7-6-12-28-16/h6-7,12H,8-11,13H2,1-5H3
InChIKeyQWOYCDHVUUOSMN-UHFFFAOYSA-N
MW428.63 g/mol
LogP4.63
Rot. Bonds3

About (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 30536665) has the molecular formula C22H28N4OS2 and a molecular weight of 428.63 g/mol. Its IUPAC name is (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID30536665
Molecular FormulaC22H28N4OS2
Molecular Weight428.63 g/mol
Exact Mass428.17
IUPAC Name(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)N3CCN(Cc4cccs4)CC3)c(C)c12
InChIInChI=1S/C22H28N4OS2/c1-14-17-15(2)23-21(22(3,4)5)24-19(17)29-18(14)20(27)26-10-8-25(9-11-26)13-16-7-6-12-28-16/h6-7,12H,8-11,13H2,1-5H3
InChIKeyQWOYCDHVUUOSMN-UHFFFAOYSA-N
XLogP4.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.63
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
CID 24641890
N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
CID 32626028
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24628478
(3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 9120102
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 32739124
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24610069
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30767971
[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24643480
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
(1-methylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35383078

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 30536665) is (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is Cc1nc(C(C)(C)C)nc2sc(C(=O)N3CCN(Cc4cccs4)CC3)c(C)c12.
What is the InChIKey of (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is QWOYCDHVUUOSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS2/c1-14-17-15(2)23-21(22(3,4)5)24-19(17)29-18(14)20(27)26-10-8-25(9-11-26)13-16-7-6-12-28-16/h6-7,12H,8-11,13H2,1-5H3.
What are the key properties of (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 428.63 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30536665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).