HWQ

C₁₆H₂₂N₆S — CID 146027021

About HWQ

HWQ (PubChem CID 146027021) has the molecular formula C₁₆H₂₂N₆S and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

• Compound Name: HWQ
• PubChem CID: 146027021
• Molecular Formula: C₁₆H₂₂N₆S
• Molecular Weight: 330.46 g/mol
• Exact Mass: 330.16
• IUPAC Name: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
• SMILES: CN(CCC#N)c1nc(N(C)C2CCNCC2)nc2ccsc12
• InChI: InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3
• InChIKey: ZZVMFUZVPCVUGH-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 68.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.46
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of HWQ?

The IUPAC name of HWQ (CID 146027021) is 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile.

What is the SMILES notation for HWQ?

The canonical SMILES for HWQ is CN(CCC#N)c1nc(N(C)C2CCNCC2)nc2ccsc12.

What is the InChIKey of HWQ?

The InChIKey is ZZVMFUZVPCVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3.

What are the key properties of HWQ?

HWQ has a molecular weight of 330.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for HWQ is sourced from PubChem (CID 146027021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146027021 — identifiers, structure, computed properties (public domain)

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