ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate

C14H15N5O2S — CID 705884

IUPACethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3sc(C)c(C)c23)c1N
InChIInChI=1S/C14H15N5O2S/c1-4-21-14(20)9-5-18-19(11(9)15)12-10-7(2)8(3)22-13(10)17-6-16-12/h5-6H,4,15H2,1-3H3
InChIKeyMFWNDDVLYZVORA-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.25
Rot. Bonds3

About ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate

ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate (PubChem CID 705884) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
PubChem CID705884
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Nameethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3sc(C)c(C)c23)c1N
InChIInChI=1S/C14H15N5O2S/c1-4-21-14(20)9-5-18-19(11(9)15)12-10-7(2)8(3)22-13(10)17-6-16-12/h5-6H,4,15H2,1-3H3
InChIKeyMFWNDDVLYZVORA-UHFFFAOYSA-N
XLogP2.25
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate (CID 705884) is ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ncnc3sc(C)c(C)c23)c1N.
What is the InChIKey of ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The InChIKey is MFWNDDVLYZVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-4-21-14(20)9-5-18-19(11(9)15)12-10-7(2)8(3)22-13(10)17-6-16-12/h5-6H,4,15H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 705884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).