2-(1-methylpiperidin-4-yl)sulfanylpyrimidine

C10H15N3S — CID 18723016

IUPAC2-(1-methylpiperidin-4-yl)sulfanylpyrimidine
SMILESCN1CCC(Sc2ncccn2)CC1
InChIInChI=1S/C10H15N3S/c1-13-7-3-9(4-8-13)14-10-11-5-2-6-12-10/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyQXMFDXXRAGLHHD-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine

2-(1-methylpiperidin-4-yl)sulfanylpyrimidine (PubChem CID 18723016) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)sulfanylpyrimidine
PubChem CID18723016
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(1-methylpiperidin-4-yl)sulfanylpyrimidine
SMILESCN1CCC(Sc2ncccn2)CC1
InChIInChI=1S/C10H15N3S/c1-13-7-3-9(4-8-13)14-10-11-5-2-6-12-10/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyQXMFDXXRAGLHHD-UHFFFAOYSA-N
XLogP1.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-pyrimidin-2-ylsulfanylcyclohexan-1-one
CID 138676584
1-(1-methylpiperidin-4-yl)sulfanylisoquinoline
CID 10729940
2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine
CID 110187081
(1S,5S)-3-pyrimidin-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
CID 98116368
2-(1-methylpiperidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 138591006
1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
1-methyl-4-(4-nitrophenyl)sulfanylpiperidine
CID 10800812
2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole
CID 18723020
tert-butyl 3-pyrimidin-2-ylsulfanylpiperidine-1-carboxylate
CID 71302839
2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71637401
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
1-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidine
CID 142009434

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine (CID 18723016) is 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine is CN1CCC(Sc2ncccn2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine?
The InChIKey is QXMFDXXRAGLHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-13-7-3-9(4-8-13)14-10-11-5-2-6-12-10/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine?
2-(1-methylpiperidin-4-yl)sulfanylpyrimidine has a molecular weight of 209.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)sulfanylpyrimidine is sourced from PubChem (CID 18723016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).