4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine

C13H21N3S — CID 779100

IUPAC4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C13H21N3S/c1-11-10-12(2)15-13(14-11)17-9-8-16-6-4-3-5-7-16/h10H,3-9H2,1-2H3
InChIKeyNLPMHYDQVRNVFH-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.67
Rot. Bonds4

About 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine

4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine (PubChem CID 779100) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine
PubChem CID779100
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCN2CCCCC2)n1
InChIInChI=1S/C13H21N3S/c1-11-10-12(2)15-13(14-11)17-9-8-16-6-4-3-5-7-16/h10H,3-9H2,1-2H3
InChIKeyNLPMHYDQVRNVFH-UHFFFAOYSA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)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 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine (CID 779100) is 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine is Cc1cc(C)nc(SCCN2CCCCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine?
The InChIKey is NLPMHYDQVRNVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-11-10-12(2)15-13(14-11)17-9-8-16-6-4-3-5-7-16/h10H,3-9H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine?
4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine has a molecular weight of 251.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine is sourced from PubChem (CID 779100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).