4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride

C13H16ClN3S — CID 652517

IUPAC4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride
SMILESCc1cc(C)nc(SCCc2ccncc2)n1.[Cl-].[H+]
InChIInChI=1S/C13H15N3S.ClH/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;1H
InChIKeyDRAWSMWMMDIGDB-UHFFFAOYSA-N
MW281.81 g/mol
LogP-0.06
Rot. Bonds4

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

4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride (PubChem CID 652517) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride
PubChem CID652517
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride
SMILESCc1cc(C)nc(SCCc2ccncc2)n1.[Cl-].[H+]
InChIInChI=1S/C13H15N3S.ClH/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;1H
InChIKeyDRAWSMWMMDIGDB-UHFFFAOYSA-N
XLogP-0.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-naphthalen-2-ylsulfanylethyl)pyridine
CID 3627632
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497445
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 747180
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
CID 802777
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfanyl]-4,6-dimethylpyrimidine
CID 5002015
4-(2-methoxysulfanylethyl)pyridine
CID 144565327
2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethylazanium
CID 5210343
4-[2-[4-[2-(4-ethynyl-3-methylphenyl)ethynyl]phenyl]sulfanylethyl]pyridine
CID 10641805

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride?
The IUPAC name of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride (CID 652517) is 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride.
What is the SMILES notation for 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride?
The canonical SMILES for 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride is Cc1cc(C)nc(SCCc2ccncc2)n1.[Cl-].[H+].
What is the InChIKey of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride?
The InChIKey is DRAWSMWMMDIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S.ClH/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;1H.
What are the key properties of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride?
4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydron;chloride has a molecular weight of 281.81 g/mol, XLogP of -0.06, 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;hydron;chloride is sourced from PubChem (CID 652517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).