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

C12H15N3S — CID 2239060

IUPAC2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2ccsc2n1
InChIInChI=1S/C12H15N3S/c1-9-13-11(15-6-3-2-4-7-15)10-5-8-16-12(10)14-9/h5,8H,2-4,6-7H2,1H3
InChIKeyHNOSYRPQPYTXTK-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.99
Rot. Bonds1

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

2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 2239060) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID2239060
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2ccsc2n1
InChIInChI=1S/C12H15N3S/c1-9-13-11(15-6-3-2-4-7-15)10-5-8-16-12(10)14-9/h5,8H,2-4,6-7H2,1H3
InChIKeyHNOSYRPQPYTXTK-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (CID 2239060) is 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is Cc1nc(N2CCCCC2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is HNOSYRPQPYTXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-13-11(15-6-3-2-4-7-15)10-5-8-16-12(10)14-9/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 233.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2239060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).