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

C13H16ClN3S — CID 5307517

IUPAC4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(SCCc2ccncc2)n1.Cl
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
LogP3.25
Rot. Bonds4

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

4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride (PubChem CID 5307517) 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;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride
PubChem CID5307517
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(SCCc2ccncc2)n1.Cl
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
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride (CID 5307517) is 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride is Cc1cc(C)nc(SCCc2ccncc2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride?
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;hydrochloride?
4,6-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 3.25, 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;hydrochloride is sourced from PubChem (CID 5307517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).