ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate

C9H8ClN3O2S — CID 82065924

IUPACethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1csc2nc(Cl)nc(N)c12
InChIInChI=1S/C9H8ClN3O2S/c1-2-15-8(14)4-3-16-7-5(4)6(11)12-9(10)13-7/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyRYWYCKPVNXASPB-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.10
Rot. Bonds2

About ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate (PubChem CID 82065924) has the molecular formula C9H8ClN3O2S and a molecular weight of 257.70 g/mol. Its IUPAC name is ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate
PubChem CID82065924
Molecular FormulaC9H8ClN3O2S
Molecular Weight257.70 g/mol
Exact Mass257.00
IUPAC Nameethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1csc2nc(Cl)nc(N)c12
InChIInChI=1S/C9H8ClN3O2S/c1-2-15-8(14)4-3-16-7-5(4)6(11)12-9(10)13-7/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyRYWYCKPVNXASPB-UHFFFAOYSA-N
XLogP2.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,4-dichlorothieno[2,3-d]pyrimidine-5-carboxylate
CID 82097838
ethyl 2-chloro-4-(diethylamino)thieno[2,3-d]pyrimidine-5-carboxylate
CID 93214001
ethyl 2-chloro-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-5-carboxylate
CID 82065875
ethyl 4-chlorothieno[2,3-d]pyrimidine-5-carboxylate
CID 56687059
ethyl 2-chloro-4-(1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-5-carboxylate
CID 82065887
ethyl 2-chloro-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thieno[2,3-d]pyrimidine-5-carboxylate
CID 170270920
ethyl 2-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylate
CID 82338161
ethyl 4-oxo-2-(propan-2-yloxymethyl)-3H-thieno[2,3-d]pyrimidine-5-carboxylate
CID 154766717
ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
2-ethoxycarbonyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 59652388
ethyl 4-(dichloromethyl)-5-methylthiophene-3-carboxylate
CID 68941601
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate (CID 82065924) is ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1csc2nc(Cl)nc(N)c12.
What is the InChIKey of ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RYWYCKPVNXASPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S/c1-2-15-8(14)4-3-16-7-5(4)6(11)12-9(10)13-7/h3H,2H2,1H3,(H2,11,12,13).
What are the key properties of ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 257.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-chlorothieno[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 82065924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).