4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine

C23H22N4S — CID 154811322

IUPAC4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
SMILESCC1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H22N4S/c1-16-10-13-27(14-11-16)22-18-15-20(17-7-3-2-4-8-17)28-23(18)26-21(25-22)19-9-5-6-12-24-19/h2-9,12,15-16H,10-11,13-14H2,1H3
InChIKeyHLBBSZIOIHZITO-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.66
Rot. Bonds3

About 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine

4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine (PubChem CID 154811322) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
PubChem CID154811322
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
SMILESCC1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H22N4S/c1-16-10-13-27(14-11-16)22-18-15-20(17-7-3-2-4-8-17)28-23(18)26-21(25-22)19-9-5-6-12-24-19/h2-9,12,15-16H,10-11,13-14H2,1H3
InChIKeyHLBBSZIOIHZITO-UHFFFAOYSA-N
XLogP5.66
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine (CID 154811322) is 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine is CC1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is HLBBSZIOIHZITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-16-10-13-27(14-11-16)22-18-15-20(17-7-3-2-4-8-17)28-23(18)26-21(25-22)19-9-5-6-12-24-19/h2-9,12,15-16H,10-11,13-14H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 386.52 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 154811322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).