2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine

C16H12ClN5S — CID 829543

IUPAC2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ncnc3scc(-c4ccc(Cl)cc4)c23)n1
InChIInChI=1S/C16H12ClN5S/c1-9-6-13(18)22(21-9)15-14-12(7-23-16(14)20-8-19-15)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3
InChIKeyCJVYTORHCUQKCG-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.09
Rot. Bonds2

About 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine

2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine (PubChem CID 829543) has the molecular formula C16H12ClN5S and a molecular weight of 341.83 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine
PubChem CID829543
Molecular FormulaC16H12ClN5S
Molecular Weight341.83 g/mol
Exact Mass341.05
IUPAC Name2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ncnc3scc(-c4ccc(Cl)cc4)c23)n1
InChIInChI=1S/C16H12ClN5S/c1-9-6-13(18)22(21-9)15-14-12(7-23-16(14)20-8-19-15)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3
InChIKeyCJVYTORHCUQKCG-UHFFFAOYSA-N
XLogP4.09
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine (CID 829543) is 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2ncnc3scc(-c4ccc(Cl)cc4)c23)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
The InChIKey is CJVYTORHCUQKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5S/c1-9-6-13(18)22(21-9)15-14-12(7-23-16(14)20-8-19-15)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine?
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine has a molecular weight of 341.83 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 829543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).