4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine

C12H11ClN2OS2 — CID 1488149

IUPAC4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
SMILESCOc1ccc(Sc2cc(Cl)nc(SC)n2)cc1
InChIInChI=1S/C12H11ClN2OS2/c1-16-8-3-5-9(6-4-8)18-11-7-10(13)14-12(15-11)17-2/h3-7H,1-2H3
InChIKeyNXZFKQNGDFYEBK-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.01
Rot. Bonds4

About 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine

4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine (PubChem CID 1488149) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
PubChem CID1488149
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
SMILESCOc1ccc(Sc2cc(Cl)nc(SC)n2)cc1
InChIInChI=1S/C12H11ClN2OS2/c1-16-8-3-5-9(6-4-8)18-11-7-10(13)14-12(15-11)17-2/h3-7H,1-2H3
InChIKeyNXZFKQNGDFYEBK-UHFFFAOYSA-N
XLogP4.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
CID 43260496
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80545968
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
6-(4-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720140
1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 102434842
4-chloro-6-(4-methoxy-2-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 112724522
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923495
[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
CID 80930601
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine (CID 1488149) is 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine is COc1ccc(Sc2cc(Cl)nc(SC)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine?
The InChIKey is NXZFKQNGDFYEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-16-8-3-5-9(6-4-8)18-11-7-10(13)14-12(15-11)17-2/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine?
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine has a molecular weight of 298.82 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 1488149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).