4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine

C12H19N3S — CID 62305322

IUPAC4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCC2CCCNC2)n1
InChIInChI=1S/C12H19N3S/c1-9-6-10(2)15-12(14-9)16-8-11-4-3-5-13-7-11/h6,11,13H,3-5,7-8H2,1-2H3
InChIKeyOSZWGFGPMDRMPB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.19
Rot. Bonds3

About 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine

4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine (PubChem CID 62305322) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
PubChem CID62305322
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCC2CCCNC2)n1
InChIInChI=1S/C12H19N3S/c1-9-6-10(2)15-12(14-9)16-8-11-4-3-5-13-7-11/h6,11,13H,3-5,7-8H2,1-2H3
InChIKeyOSZWGFGPMDRMPB-UHFFFAOYSA-N
XLogP2.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
CID 62305321
4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97162667
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine (CID 62305322) is 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine is Cc1cc(C)nc(SCC2CCCNC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
The InChIKey is OSZWGFGPMDRMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-6-10(2)15-12(14-9)16-8-11-4-3-5-13-7-11/h6,11,13H,3-5,7-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine has a molecular weight of 237.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 62305322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).