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

C12H19N3S — CID 62305321

IUPAC4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCC2CCNCC2)n1
InChIInChI=1S/C12H19N3S/c1-9-7-10(2)15-12(14-9)16-8-11-3-5-13-6-4-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyVKWIXSWDDOYSMJ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.19
Rot. Bonds3

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

4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine (PubChem CID 62305321) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
PubChem CID62305321
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCC2CCNCC2)n1
InChIInChI=1S/C12H19N3S/c1-9-7-10(2)15-12(14-9)16-8-11-3-5-13-6-4-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyVKWIXSWDDOYSMJ-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

4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
CID 802777
4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135974734
2,4-dimethyl-6-(piperidin-4-ylmethoxy)pyrimidine
CID 62349222
4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716663
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine (CID 62305321) is 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine is Cc1cc(C)nc(SCC2CCNCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine?
The InChIKey is VKWIXSWDDOYSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-7-10(2)15-12(14-9)16-8-11-3-5-13-6-4-11/h7,11,13H,3-6,8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine?
4,6-dimethyl-2-(piperidin-4-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-4-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 62305321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).