2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine

C10H13ClN2S — CID 125483482

IUPAC2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine
SMILESC/C(Cl)=C/CSc1nc(C)cc(C)n1
InChIInChI=1S/C10H13ClN2S/c1-7(11)4-5-14-10-12-8(2)6-9(3)13-10/h4,6H,5H2,1-3H3/b7-4-
InChIKeyFLKJIGFXJZIUQU-DAXSKMNVSA-N
MW228.75 g/mol
LogP3.33
Rot. Bonds3

About 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine

2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine (PubChem CID 125483482) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine
PubChem CID125483482
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine
SMILESC/C(Cl)=C/CSc1nc(C)cc(C)n1
InChIInChI=1S/C10H13ClN2S/c1-7(11)4-5-14-10-12-8(2)6-9(3)13-10/h4,6H,5H2,1-3H3/b7-4-
InChIKeyFLKJIGFXJZIUQU-DAXSKMNVSA-N
XLogP3.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
CID 802777
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl chloride
CID 151547713
2-[(E)-but-2-enyl]sulfanyl-6-methylpyrimidin-4-amine
CID 115279575
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 747180
4-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-methylbut-2-enoic acid
CID 77075238
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 60716308
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
2-[(2,6-dichloro-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 106994811
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
2-acetamido-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid
CID 64581096

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine (CID 125483482) is 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine is C/C(Cl)=C/CSc1nc(C)cc(C)n1.
What is the InChIKey of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine?
The InChIKey is FLKJIGFXJZIUQU-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-7(11)4-5-14-10-12-8(2)6-9(3)13-10/h4,6H,5H2,1-3H3/b7-4-.
What are the key properties of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine?
2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine has a molecular weight of 228.75 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 125483482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).