2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H22N4O2S — CID 39084874

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C19H22N4O2S/c1-12-13(2)26-19-17(12)18(22-11-23-19)21-10-16(24)20-9-8-14-4-6-15(25-3)7-5-14/h4-7,11H,8-10H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyHKYKJUVGCCEHMY-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.09
Rot. Bonds7

About 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 39084874) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID39084874
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C19H22N4O2S/c1-12-13(2)26-19-17(12)18(22-11-23-19)21-10-16(24)20-9-8-14-4-6-15(25-3)7-5-14/h4-7,11H,8-10H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyHKYKJUVGCCEHMY-UHFFFAOYSA-N
XLogP3.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39162325
N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9402936
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9400677
ethyl 5-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 69377373
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
CID 82033138
[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8017180
2-[[2-[[6-(2-methoxyethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]acetyl]amino]acetic acid
CID 28843486
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
N-[(1S,3S)-5-hydroxy-2-adamantyl]-4-[2-(4-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 98345928
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 75357573
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-2-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3698189

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 39084874) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNc2ncnc3sc(C)c(C)c23)cc1.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is HKYKJUVGCCEHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-13(2)26-19-17(12)18(22-11-23-19)21-10-16(24)20-9-8-14-4-6-15(25-3)7-5-14/h4-7,11H,8-10H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 39084874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).