2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C19H22N4O3S — CID 39084934

IUPAC2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCCc1cc2c(NCC(=O)NCCOc3ccc(OC)cc3)ncnc2s1
InChIInChI=1S/C19H22N4O3S/c1-3-15-10-16-18(22-12-23-19(16)27-15)21-11-17(24)20-8-9-26-14-6-4-13(25-2)5-7-14/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyZYMPKZRWWSYDJE-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.87
Rot. Bonds9

About 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 39084934) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID39084934
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCCc1cc2c(NCC(=O)NCCOc3ccc(OC)cc3)ncnc2s1
InChIInChI=1S/C19H22N4O3S/c1-3-15-10-16-18(22-12-23-19(16)27-15)21-11-17(24)20-8-9-26-14-6-4-13(25-2)5-7-14/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyZYMPKZRWWSYDJE-UHFFFAOYSA-N
XLogP2.87
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084959
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103322382
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084785
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
N-cyclopentyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084937
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8570291
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
CID 39081718
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 39084934) is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide is CCc1cc2c(NCC(=O)NCCOc3ccc(OC)cc3)ncnc2s1.
What is the InChIKey of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is ZYMPKZRWWSYDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-15-10-16-18(22-12-23-19(16)27-15)21-11-17(24)20-8-9-26-14-6-4-13(25-2)5-7-14/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 39084934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).