4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine

C6H6Cl2N2OS — CID 15003627

IUPAC4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
SMILESCOc1c(Cl)nc(SC)nc1Cl
InChIInChI=1S/C6H6Cl2N2OS/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3
InChIKeyOARJVJCNEZWMCZ-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.51
Rot. Bonds2

About 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine

4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine (PubChem CID 15003627) has the molecular formula C6H6Cl2N2OS and a molecular weight of 225.10 g/mol. Its IUPAC name is 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
PubChem CID15003627
Molecular FormulaC6H6Cl2N2OS
Molecular Weight225.10 g/mol
Exact Mass223.96
IUPAC Name4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
SMILESCOc1c(Cl)nc(SC)nc1Cl
InChIInChI=1S/C6H6Cl2N2OS/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3
InChIKeyOARJVJCNEZWMCZ-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
CID 118020221
4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
CID 114693063
(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol
CID 130899452
4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 5324414
7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 71743137
4-chloro-2-(3-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
CID 150578774
5-bromo-4-chloro-7-methoxy-2-methylsulfanylquinazoline
CID 114693397
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
2,6-dichloro-4-ethyl-3,5-dimethoxypyridine
CID 174951332
4-chloro-2-methylsulfanylpyrimido[4,5-b]quinoline
CID 91119672
4,5,7-trichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 168876777
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine (CID 15003627) is 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine is COc1c(Cl)nc(SC)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
The InChIKey is OARJVJCNEZWMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2OS/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3.
What are the key properties of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine has a molecular weight of 225.10 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 15003627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).