N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

C17H14ClN5S — CID 168868713

IUPACN-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)c3ccsc3n2)n1
InChIInChI=1S/C17H14ClN5S/c1-10-9-11(2)23(22-10)17-20-15(14-7-8-24-16(14)21-17)19-13-5-3-12(18)4-6-13/h3-9H,1-2H3,(H,19,20,21)
InChIKeyZASWCDHRLXPGBM-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.89
Rot. Bonds3

About N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 168868713) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID168868713
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC NameN-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)c3ccsc3n2)n1
InChIInChI=1S/C17H14ClN5S/c1-10-9-11(2)23(22-10)17-20-15(14-7-8-24-16(14)21-17)19-13-5-3-12(18)4-6-13/h3-9H,1-2H3,(H,19,20,21)
InChIKeyZASWCDHRLXPGBM-UHFFFAOYSA-N
XLogP4.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (CID 168868713) is N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)c3ccsc3n2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZASWCDHRLXPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c1-10-9-11(2)23(22-10)17-20-15(14-7-8-24-16(14)21-17)19-13-5-3-12(18)4-6-13/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 355.85 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168868713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).