4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine

C13H15N3S — CID 652518

IUPAC4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCc2ccncc2)n1
InChIInChI=1S/C13H15N3S/c1-10-9-11(2)16-13(15-10)17-8-5-12-3-6-14-7-4-12/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyXLGJINHTQUHGHD-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.82
Rot. Bonds4

About 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine

4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine (PubChem CID 652518) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine
PubChem CID652518
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCc2ccncc2)n1
InChIInChI=1S/C13H15N3S/c1-10-9-11(2)16-13(15-10)17-8-5-12-3-6-14-7-4-12/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyXLGJINHTQUHGHD-UHFFFAOYSA-N
XLogP2.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
Tasuldine
CID 65666
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
4,6-dimethyl-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrimidine
CID 9609651
4-Methyl-6-[(4-methylphenyl)thio]-2-(2-pyridyl)pyrimidine
CID 2725934
4-Methyl-2-[(4-nitrobenzyl)sulfanyl]pyrimidine
CID 3474733
4-(Methanesulfonylmethyl)-2-(pyridin-4-yl)-6-(pyrrolidin-1-yl)pyrimidine
CID 3811929
2-(Pyridin-2-yl)-4-(m-tolylthio)pyrimidine
CID 11460152
N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3851518
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
CID 6896559
2-(Benzylsulfanyl)-4-pyrimidinecarbaldehyde oxime
CID 135545034
5-((6-Phenylpyridin-3-yl)methyl)pyrimidine
CID 57330079

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine (CID 652518) is 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine is Cc1cc(C)nc(SCCc2ccncc2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine?
The InChIKey is XLGJINHTQUHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-10-9-11(2)16-13(15-10)17-8-5-12-3-6-14-7-4-12/h3-4,6-7,9H,5,8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine?
4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine has a molecular weight of 245.35 g/mol, XLogP of 2.82, 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-pyridin-4-ylethylsulfanyl)pyrimidine is sourced from PubChem (CID 652518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).