2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine

C16H23N3S — CID 55824179

IUPAC2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C16H23N3S/c1-11(2)9-13-10-20-16-14(13)15(17-12(3)18-16)19-7-5-4-6-8-19/h10-11H,4-9H2,1-3H3
InChIKeyIMEVYEZKUFTPQL-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.19
Rot. Bonds3

About 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine

2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 55824179) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID55824179
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C16H23N3S/c1-11(2)9-13-10-20-16-14(13)15(17-12(3)18-16)19-7-5-4-6-8-19/h10-11H,4-9H2,1-3H3
InChIKeyIMEVYEZKUFTPQL-UHFFFAOYSA-N
XLogP4.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine (CID 55824179) is 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine is Cc1nc(N2CCCCC2)c2c(CC(C)C)csc2n1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is IMEVYEZKUFTPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11(2)9-13-10-20-16-14(13)15(17-12(3)18-16)19-7-5-4-6-8-19/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 289.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 55824179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).