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

C17H21N5S — CID 168868692

IUPACN-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(NC3CCCCC3)c3ccsc3n2)n1
InChIInChI=1S/C17H21N5S/c1-11-10-12(2)22(21-11)17-19-15(14-8-9-23-16(14)20-17)18-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyQFASUEXHBKAOQS-UHFFFAOYSA-N
MW327.46 g/mol
LogP4.24
Rot. Bonds3

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

N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 168868692) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID168868692
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC NameN-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(NC3CCCCC3)c3ccsc3n2)n1
InChIInChI=1S/C17H21N5S/c1-11-10-12(2)22(21-11)17-19-15(14-8-9-23-16(14)20-17)18-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyQFASUEXHBKAOQS-UHFFFAOYSA-N
XLogP4.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (CID 168868692) is N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(C)n(-c2nc(NC3CCCCC3)c3ccsc3n2)n1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QFASUEXHBKAOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-11-10-12(2)22(21-11)17-19-15(14-8-9-23-16(14)20-17)18-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,18,19,20).
What are the key properties of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168868692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).