methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate

C7H6Cl2N2O3S — CID 97114154

IUPACmethyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc([S@](C)=O)nc1Cl
InChIInChI=1S/C7H6Cl2N2O3S/c1-14-6(12)3-4(8)10-7(15(2)13)11-5(3)9/h1-2H3/t15-/m0/s1
InChIKeyJORYYWBABHWKBF-HNNXBMFYSA-N
MW269.11 g/mol
LogP1.31
Rot. Bonds2

About methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate

methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate (PubChem CID 97114154) has the molecular formula C7H6Cl2N2O3S and a molecular weight of 269.11 g/mol. Its IUPAC name is methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
PubChem CID97114154
Molecular FormulaC7H6Cl2N2O3S
Molecular Weight269.11 g/mol
Exact Mass267.95
IUPAC Namemethyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc([S@](C)=O)nc1Cl
InChIInChI=1S/C7H6Cl2N2O3S/c1-14-6(12)3-4(8)10-7(15(2)13)11-5(3)9/h1-2H3/t15-/m0/s1
InChIKeyJORYYWBABHWKBF-HNNXBMFYSA-N
XLogP1.31
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid
CID 166072347
5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine
CID 133080951
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate
CID 59894472
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911
methyl 2-chloro-6-methyl-4-pentan-3-yloxypyridine-3-carboxylate
CID 24806871
methyl 5,6-dichloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206339
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate (CID 97114154) is methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate is COC(=O)c1c(Cl)nc([S@](C)=O)nc1Cl.
What is the InChIKey of methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate?
The InChIKey is JORYYWBABHWKBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O3S/c1-14-6(12)3-4(8)10-7(15(2)13)11-5(3)9/h1-2H3/t15-/m0/s1.
What are the key properties of methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate?
methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate has a molecular weight of 269.11 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 97114154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).