N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide

C21H34N4O2S — CID 8584911

IUPACN-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
SMILESCC[C@@H](C)Cc1c(C)sc2nc(CN(CC)CC(=O)NC(C)(C)C)[nH]c(=O)c12
InChIInChI=1S/C21H34N4O2S/c1-8-13(3)10-15-14(4)28-20-18(15)19(27)22-16(23-20)11-25(9-2)12-17(26)24-21(5,6)7/h13H,8-12H2,1-7H3,(H,24,26)(H,22,23,27)/t13-/m1/s1
InChIKeyAGRDCVFVWLPFHF-CYBMUJFWSA-N
MW406.60 g/mol
LogP3.62
Rot. Bonds8

About N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide

N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide (PubChem CID 8584911) has the molecular formula C21H34N4O2S and a molecular weight of 406.60 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
PubChem CID8584911
Molecular FormulaC21H34N4O2S
Molecular Weight406.60 g/mol
Exact Mass406.24
IUPAC NameN-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
SMILESCC[C@@H](C)Cc1c(C)sc2nc(CN(CC)CC(=O)NC(C)(C)C)[nH]c(=O)c12
InChIInChI=1S/C21H34N4O2S/c1-8-13(3)10-15-14(4)28-20-18(15)19(27)22-16(23-20)11-25(9-2)12-17(26)24-21(5,6)7/h13H,8-12H2,1-7H3,(H,24,26)(H,22,23,27)/t13-/m1/s1
InChIKeyAGRDCVFVWLPFHF-CYBMUJFWSA-N
XLogP3.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 8784818
methyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8784815
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyridine-4-carboxylate
CID 7766039
methyl 1-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate
CID 8584166
N,N-dimethyl-2-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 8782872
[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-(4-fluorophenyl)acetate
CID 7932950
[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl pyrrolidine-1-carbodithioate
CID 7542094
N-(ethylcarbamoyl)-2-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 8782871
6-methyl-5-[(2R)-2-methylbutyl]-2-(2-methylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7508199
6-methyl-5-[(2S)-2-methylbutyl]-2-(2-methylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7508200
[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2,4-difluorobenzoate
CID 7951588

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide (CID 8584911) is N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide is CC[C@@H](C)Cc1c(C)sc2nc(CN(CC)CC(=O)NC(C)(C)C)[nH]c(=O)c12.
What is the InChIKey of N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
The InChIKey is AGRDCVFVWLPFHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H34N4O2S/c1-8-13(3)10-15-14(4)28-20-18(15)19(27)22-16(23-20)11-25(9-2)12-17(26)24-21(5,6)7/h13H,8-12H2,1-7H3,(H,24,26)(H,22,23,27)/t13-/m1/s1.
What are the key properties of N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide has a molecular weight of 406.60 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 8584911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).