2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine

C18H19N3S — CID 10638643

IUPAC2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C18H19N3S/c1-13-19-15-12-16(14-8-4-2-5-9-14)22-17(15)18(20-13)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyWSUVZLWGPTWWTA-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.66
Rot. Bonds2

About 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine

2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 10638643) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID10638643
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C18H19N3S/c1-13-19-15-12-16(14-8-4-2-5-9-14)22-17(15)18(20-13)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyWSUVZLWGPTWWTA-UHFFFAOYSA-N
XLogP4.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine (CID 10638643) is 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1.
What is the InChIKey of 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is WSUVZLWGPTWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-19-15-12-16(14-8-4-2-5-9-14)22-17(15)18(20-13)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3.
What are the key properties of 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 309.44 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 10638643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).