4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine

C25H25N3S — CID 2132383

IUPAC4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCC(Cc4ccccc4)CC3)c2c1-c1ccccc1
InChIInChI=1S/C25H25N3S/c1-18-22(21-10-6-3-7-11-21)23-24(26-17-27-25(23)29-18)28-14-12-20(13-15-28)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3
InChIKeyOCLRLROUCUIKOM-UHFFFAOYSA-N
MW399.56 g/mol
LogP6.13
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine

4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 2132383) has the molecular formula C25H25N3S and a molecular weight of 399.56 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID2132383
Molecular FormulaC25H25N3S
Molecular Weight399.56 g/mol
Exact Mass399.18
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCC(Cc4ccccc4)CC3)c2c1-c1ccccc1
InChIInChI=1S/C25H25N3S/c1-18-22(21-10-6-3-7-11-21)23-24(26-17-27-25(23)29-18)28-14-12-20(13-15-28)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3
InChIKeyOCLRLROUCUIKOM-UHFFFAOYSA-N
XLogP6.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine (CID 2132383) is 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCC(Cc4ccccc4)CC3)c2c1-c1ccccc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is OCLRLROUCUIKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3S/c1-18-22(21-10-6-3-7-11-21)23-24(26-17-27-25(23)29-18)28-14-12-20(13-15-28)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 399.56 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2132383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).