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

C23H35N5O2S — CID 24641890

IUPACN-tert-butyl-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)NC(C)(C)C)CC3)c(C)c12
InChIInChI=1S/C23H35N5O2S/c1-14-17-15(2)24-21(22(3,4)5)25-19(17)31-18(14)20(30)28-11-9-27(10-12-28)13-16(29)26-23(6,7)8/h9-13H2,1-8H3,(H,26,29)
InChIKeyKIUXUYALRZLTLR-UHFFFAOYSA-N
MW445.63 g/mol
LogP3.28
Rot. Bonds3

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

N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide (PubChem CID 24641890) has the molecular formula C23H35N5O2S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide
PubChem CID24641890
Molecular FormulaC23H35N5O2S
Molecular Weight445.63 g/mol
Exact Mass445.25
IUPAC NameN-tert-butyl-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)NC(C)(C)C)CC3)c(C)c12
InChIInChI=1S/C23H35N5O2S/c1-14-17-15(2)24-21(22(3,4)5)25-19(17)31-18(14)20(30)28-11-9-27(10-12-28)13-16(29)26-23(6,7)8/h9-13H2,1-8H3,(H,26,29)
InChIKeyKIUXUYALRZLTLR-UHFFFAOYSA-N
XLogP3.28
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 30536665
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24628478
2-[4-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045481
2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9423231
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 32739124
azepan-1-yl-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43043987
2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30376117
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone
CID 56815920
N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide
CID 24629657
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43056996
ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9423245

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide (CID 24641890) is N-tert-butyl-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-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-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)NC(C)(C)C)CC3)c(C)c12.
What is the InChIKey of N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is KIUXUYALRZLTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2S/c1-14-17-15(2)24-21(22(3,4)5)25-19(17)31-18(14)20(30)28-11-9-27(10-12-28)13-16(29)26-23(6,7)8/h9-13H2,1-8H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 445.63 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24641890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).