ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate

C15H11Cl2N3O3S — CID 59519282

IUPACethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(-c3cc(O)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C15H11Cl2N3O3S/c1-2-23-14(22)11-4-7-12(19-15(18)20-13(7)24-11)6-3-10(21)9(17)5-8(6)16/h3-5,21H,2H2,1H3,(H2,18,19,20)
InChIKeyFLIQEBVLUZSSCA-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.13
Rot. Bonds3

About ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 59519282) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID59519282
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Nameethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(-c3cc(O)c(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C15H11Cl2N3O3S/c1-2-23-14(22)11-4-7-12(19-15(18)20-13(7)24-11)6-3-10(21)9(17)5-8(6)16/h3-5,21H,2H2,1H3,(H2,18,19,20)
InChIKeyFLIQEBVLUZSSCA-UHFFFAOYSA-N
XLogP4.13
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 11232887
ethyl 2-amino-4-(2-methyl-4-prop-2-enoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519167
ethyl 2-amino-4-(2,4-dichloro-6-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 167053836
2-amino-4-[2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 70841492
2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11641062
ethyl 2-amino-4-(3-chlorobenzoyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519335
ethyl 2-amino-4-[(E)-3,3-dimethylbut-1-enyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519265
2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141177234
2-amino-4-[2,4-dichloro-5-(pyridin-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 59519264
ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 68595341
2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519348
2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 59519270

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 59519282) is ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(-c3cc(O)c(Cl)cc3Cl)nc(N)nc2s1.
What is the InChIKey of ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is FLIQEBVLUZSSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c1-2-23-14(22)11-4-7-12(19-15(18)20-13(7)24-11)6-3-10(21)9(17)5-8(6)16/h3-5,21H,2H2,1H3,(H2,18,19,20).
What are the key properties of ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 384.24 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 59519282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).