2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine

C13H12Cl2N4S — CID 103322802

IUPAC2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3nc(C)c(Cl)c3C)nc(Cl)nc2s1
InChIInChI=1S/C13H12Cl2N4S/c1-4-8-5-9-11(16-13(15)17-12(9)20-8)19-7(3)10(14)6(2)18-19/h5H,4H2,1-3H3
InChIKeyUWKFJTGUNRWDNT-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.36
Rot. Bonds2

About 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine

2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 103322802) has the molecular formula C13H12Cl2N4S and a molecular weight of 327.24 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID103322802
Molecular FormulaC13H12Cl2N4S
Molecular Weight327.24 g/mol
Exact Mass326.02
IUPAC Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3nc(C)c(Cl)c3C)nc(Cl)nc2s1
InChIInChI=1S/C13H12Cl2N4S/c1-4-8-5-9-11(16-13(15)17-12(9)20-8)19-7(3)10(14)6(2)18-19/h5H,4H2,1-3H3
InChIKeyUWKFJTGUNRWDNT-UHFFFAOYSA-N
XLogP4.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 103322802) is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(-n3nc(C)c(Cl)c3C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is UWKFJTGUNRWDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4S/c1-4-8-5-9-11(16-13(15)17-12(9)20-8)19-7(3)10(14)6(2)18-19/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 327.24 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103322802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).