4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane

C10H13ClN4S — CID 142040016

IUPAC4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane
SMILESCC.CSc1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C8H7ClN4S.C2H6/c1-14-8-11-6(9)4-7(12-8)13-3-2-10-5-13;1-2/h2-5H,1H3;1-2H3
InChIKeyPXZUPENDGFNZFX-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.06
Rot. Bonds2

About 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane

4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane (PubChem CID 142040016) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane
PubChem CID142040016
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane
SMILESCC.CSc1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C8H7ClN4S.C2H6/c1-14-8-11-6(9)4-7(12-8)13-3-2-10-5-13;1-2/h2-5H,1H3;1-2H3
InChIKeyPXZUPENDGFNZFX-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80899902
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]acetaldehyde
CID 142039592
N-[(4-chlorophenyl)methyl]-N'-(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine;propane;hydrochloride
CID 142040053
6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231
4-chloro-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 1484532
6-chloro-N-(4-imidazol-1-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547015
4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine
CID 80545554
1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)azepane
CID 22488899
2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
CID 114562950
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80546991

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane?
The IUPAC name of 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane (CID 142040016) is 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane is CC.CSc1nc(Cl)cc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane?
The InChIKey is PXZUPENDGFNZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S.C2H6/c1-14-8-11-6(9)4-7(12-8)13-3-2-10-5-13;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane?
4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane has a molecular weight of 256.76 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane is sourced from PubChem (CID 142040016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).