2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride

C10H10ClN3S — CID 52942951

IUPAC2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCl.c1cnc(SCc2cccnc2)nc1
InChIInChI=1S/C10H9N3S.ClH/c1-3-9(7-11-4-1)8-14-10-12-5-2-6-13-10;/h1-7H,8H2;1H
InChIKeyHKAPAVUFEZJXIW-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.59
Rot. Bonds3

About 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride

2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride (PubChem CID 52942951) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
PubChem CID52942951
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCl.c1cnc(SCc2cccnc2)nc1
InChIInChI=1S/C10H9N3S.ClH/c1-3-9(7-11-4-1)8-14-10-12-5-2-6-13-10;/h1-7H,8H2;1H
InChIKeyHKAPAVUFEZJXIW-UHFFFAOYSA-N
XLogP2.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tasuldine
CID 65666
3,5-Dipyridin-3-yl-1,2,4-thiadiazole
CID 10538018
2-(Pyridin-3-yl)pyrimidine
CID 13349629
2-(Benzylsulfanyl)-4-pyrimidinecarbaldehyde oxime
CID 135545034
4-n-Butylamino-2-methylthiopyrido(2,3-d)pyrimidine
CID 175082
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
CID 96753
Pyrimidine, 2,4-diamino-5-(3-pyridylmethyl)-
CID 608444
2-(Pyridin-4-yl)pyrimidin-4-amine
CID 2804233
2-Chloro-4-(pyridin-3-yl)pyrimidine
CID 11805543
N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 900602
2-methylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine
CID 44369711
2-methylsulfanyl-N-propylpyrido[2,3-d]pyrimidin-4-amine
CID 44369719

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
The IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride (CID 52942951) is 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
The canonical SMILES for 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride is Cl.c1cnc(SCc2cccnc2)nc1.
What is the InChIKey of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
The InChIKey is HKAPAVUFEZJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S.ClH/c1-3-9(7-11-4-1)8-14-10-12-5-2-6-13-10;/h1-7H,8H2;1H.
What are the key properties of 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride has a molecular weight of 239.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylsulfanyl)pyrimidine;hydrochloride is sourced from PubChem (CID 52942951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).