2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C13H17N3S — CID 1277399

IUPAC2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(C)CC2)c2ccsc2n1
InChIInChI=1S/C13H17N3S/c1-9-3-6-16(7-4-9)12-11-5-8-17-13(11)15-10(2)14-12/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyPNHIJXZBXIADBB-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.24
Rot. Bonds1

About 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 1277399) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID1277399
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(C)CC2)c2ccsc2n1
InChIInChI=1S/C13H17N3S/c1-9-3-6-16(7-4-9)12-11-5-8-17-13(11)15-10(2)14-12/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyPNHIJXZBXIADBB-UHFFFAOYSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 1277399) is 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is Cc1nc(N2CCC(C)CC2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is PNHIJXZBXIADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-3-6-16(7-4-9)12-11-5-8-17-13(11)15-10(2)14-12/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 247.37 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1277399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).