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

C10H10ClN3S — CID 13058749

IUPAC2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCl.c1ccc(CSc2ncccn2)nc1
InChIInChI=1S/C10H9N3S.ClH/c1-2-5-11-9(4-1)8-14-10-12-6-3-7-13-10;/h1-7H,8H2;1H
InChIKeyLWMHLBASBDCAPS-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.59
Rot. Bonds3

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

2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride (PubChem CID 13058749) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
PubChem CID13058749
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCl.c1ccc(CSc2ncccn2)nc1
InChIInChI=1S/C10H9N3S.ClH/c1-2-5-11-9(4-1)8-14-10-12-6-3-7-13-10;/h1-7H,8H2;1H
InChIKeyLWMHLBASBDCAPS-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
2-(Pyridin-2-yl)pyrimidin-4-amine
CID 12403616
N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3851518
2-(Benzylsulfanyl)-4-pyrimidinecarbaldehyde oxime
CID 135545034
4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
2-Chloro-4-(pyridin-3-yl)pyrimidine
CID 11805543
2-Chloro-4-(thiophen-2-yl)pyrimidine
CID 14117941
N-phenyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 668614
N-Phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 690669
4-Methyl-2-pyrimidinyl 2-oxo-2-(4-phenyl-1-piperazinyl)ethyl sulfide
CID 851620
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 888679
4-Amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
CID 2726869

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
The IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride (CID 13058749) is 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
The canonical SMILES for 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride is Cl.c1ccc(CSc2ncccn2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
The InChIKey is LWMHLBASBDCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S.ClH/c1-2-5-11-9(4-1)8-14-10-12-6-3-7-13-10;/h1-7H,8H2;1H.
What are the key properties of 2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
2-(pyridin-2-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-2-ylmethylsulfanyl)pyrimidine;hydrochloride is sourced from PubChem (CID 13058749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).