ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate

C19H22N4O3S — CID 46948294

IUPACethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2nc(NCCOC)nc3ccsc23)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-26-16(24)12-13-4-6-14(7-5-13)21-18-17-15(8-11-27-17)22-19(23-18)20-9-10-25-2/h4-8,11H,3,9-10,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyFQMRWXDVCVZDSC-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.60
Rot. Bonds9

About ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate

ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate (PubChem CID 46948294) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate
PubChem CID46948294
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Nameethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2nc(NCCOC)nc3ccsc23)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-26-16(24)12-13-4-6-14(7-5-13)21-18-17-15(8-11-27-17)22-19(23-18)20-9-10-25-2/h4-8,11H,3,9-10,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyFQMRWXDVCVZDSC-UHFFFAOYSA-N
XLogP3.60
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(5-Allyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-ylamino)phenyl)acetic acid
CID 54583103
2-(4-(5-Ethyl-6-methyl-2-(5-(methylthio)thiophen-2-yl)pyrimidin-4-ylamino)phenyl)acetic acid
CID 54586994
2-[(2-Thiophen-2-ylquinazolin-4-yl)amino]ethyl 2,2-dimethylpropanoate
CID 44246424
1-(4-(4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-ethylurea
CID 46225156
1-(4-(4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(2-fluoroethyl)urea
CID 46225157
2-N-benzyl-4-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 49795120
Ethyl 2-[4-[[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate
CID 49795850
[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholino-methanone
CID 76310737
N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-morpholinophenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76328817
N-[3-[[2-[4-(morpholin-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 156015070
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 46942544
(4-Isopropylbenzyl)-[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amine
CID 46943004

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate (CID 46948294) is ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(Nc2nc(NCCOC)nc3ccsc23)cc1.
What is the InChIKey of ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate?
The InChIKey is FQMRWXDVCVZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-26-16(24)12-13-4-6-14(7-5-13)21-18-17-15(8-11-27-17)22-19(23-18)20-9-10-25-2/h4-8,11H,3,9-10,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate?
ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate has a molecular weight of 386.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetate is sourced from PubChem (CID 46948294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).