2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C24H26N4OS — CID 18208934

IUPAC2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)NCCc3cccc4cccnc34)c(C)c12
InChIInChI=1S/C24H26N4OS/c1-14-18-15(2)27-23(24(3,4)5)28-22(18)30-20(14)21(29)26-13-11-17-9-6-8-16-10-7-12-25-19(16)17/h6-10,12H,11,13H2,1-5H3,(H,26,29)
InChIKeyIXGHLDGWZCEEPC-UHFFFAOYSA-N
MW418.57 g/mol
LogP5.13
Rot. Bonds4

About 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18208934) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18208934
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)NCCc3cccc4cccnc34)c(C)c12
InChIInChI=1S/C24H26N4OS/c1-14-18-15(2)27-23(24(3,4)5)28-22(18)30-20(14)21(29)26-13-11-17-9-6-8-16-10-7-12-25-19(16)17/h6-10,12H,11,13H2,1-5H3,(H,26,29)
InChIKeyIXGHLDGWZCEEPC-UHFFFAOYSA-N
XLogP5.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71888118
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628421
2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628423
2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30376117
N-(1,3-benzothiazol-2-ylmethyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18270421
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46517817
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799
2-tert-butyl-4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18286297
2-tert-butyl-N-(2-ethylsulfonylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51113887

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 18208934) is 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C(C)(C)C)nc2sc(C(=O)NCCc3cccc4cccnc34)c(C)c12.
What is the InChIKey of 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IXGHLDGWZCEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-14-18-15(2)27-23(24(3,4)5)28-22(18)30-20(14)21(29)26-13-11-17-9-6-8-16-10-7-12-25-19(16)17/h6-10,12H,11,13H2,1-5H3,(H,26,29).
What are the key properties of 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18208934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).