4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C22H21N5S — CID 2100253

IUPAC4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H21N5S/c1-26-10-12-27(13-11-26)21-19-18(16-6-3-2-4-7-16)15-28-22(19)25-20(24-21)17-8-5-9-23-14-17/h2-9,14-15H,10-13H2,1H3
InChIKeyAUXVLOXZUCPOJY-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.17
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 2100253) has the molecular formula C22H21N5S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID2100253
Molecular FormulaC22H21N5S
Molecular Weight387.51 g/mol
Exact Mass387.15
IUPAC Name4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H21N5S/c1-26-10-12-27(13-11-26)21-19-18(16-6-3-2-4-7-16)15-28-22(19)25-20(24-21)17-8-5-9-23-14-17/h2-9,14-15H,10-13H2,1H3
InChIKeyAUXVLOXZUCPOJY-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 2100253) is 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is AUXVLOXZUCPOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5S/c1-26-10-12-27(13-11-26)21-19-18(16-6-3-2-4-7-16)15-28-22(19)25-20(24-21)17-8-5-9-23-14-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 387.51 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2100253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).