N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide

C26H33N5O2S — CID 32626028

IUPACN-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)c(C)c12
InChIInChI=1S/C26H33N5O2S/c1-17-21-18(2)28-25(26(3,4)5)29-23(21)34-22(17)24(33)31-13-11-30(12-14-31)16-20(32)27-15-19-9-7-6-8-10-19/h6-10H,11-16H2,1-5H3,(H,27,32)
InChIKeyWIQQIBCCEHTTNQ-UHFFFAOYSA-N
MW479.65 g/mol
LogP3.68
Rot. Bonds5

About N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide (PubChem CID 32626028) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
PubChem CID32626028
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC NameN-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)c(C)c12
InChIInChI=1S/C26H33N5O2S/c1-17-21-18(2)28-25(26(3,4)5)29-23(21)34-22(17)24(33)31-13-11-30(12-14-31)16-20(32)27-15-19-9-7-6-8-10-19/h6-10H,11-16H2,1-5H3,(H,27,32)
InChIKeyWIQQIBCCEHTTNQ-UHFFFAOYSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 53.68
H-Bond Donors ≤ 51
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
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 30536665
N-benzyl-2-[4-(4-methylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 5092354
2-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71888118
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24628478
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 32739124
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
2-tert-butyl-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30797052
N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 55791061
N-(1,3-benzothiazol-2-ylmethyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18270421
N-(1-benzyl-2-pyridinylidene)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18281889
N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 30458644

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide (CID 32626028) is N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide is Cc1nc(C(C)(C)C)nc2sc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)c(C)c12.
What is the InChIKey of N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WIQQIBCCEHTTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c1-17-21-18(2)28-25(26(3,4)5)29-23(21)34-22(17)24(33)31-13-11-30(12-14-31)16-20(32)27-15-19-9-7-6-8-10-19/h6-10H,11-16H2,1-5H3,(H,27,32).
What are the key properties of N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 479.65 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 32626028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).