4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine

C10H15ClN2S — CID 63728392

IUPAC4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine
SMILESCc1nc(Cl)c(C)c(SCC(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-6(2)5-14-10-7(3)9(11)12-8(4)13-10/h6H,5H2,1-4H3
InChIKeyWHEJAGIRHYLPQI-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.49
Rot. Bonds3

About 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine

4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine (PubChem CID 63728392) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine
PubChem CID63728392
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine
SMILESCc1nc(Cl)c(C)c(SCC(C)C)n1
InChIInChI=1S/C10H15ClN2S/c1-6(2)5-14-10-7(3)9(11)12-8(4)13-10/h6H,5H2,1-4H3
InChIKeyWHEJAGIRHYLPQI-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 507187
4-Chloro-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 507188
4-Chloro-2-ethyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 44375517
4,6-Dichloro-5-fluoro-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 80550345
4-Chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 106768606
4-Butan-2-ylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106768613
4-Chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768617
4-Butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106768667
4-Chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768682
4-Chloro-6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107751111
4-Chloro-6-(2-methylbutylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107751192
4-Chloro-6-(3-methylbutylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107751274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine (CID 63728392) is 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine is Cc1nc(Cl)c(C)c(SCC(C)C)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine?
The InChIKey is WHEJAGIRHYLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-6(2)5-14-10-7(3)9(11)12-8(4)13-10/h6H,5H2,1-4H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine?
4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine has a molecular weight of 230.76 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine is sourced from PubChem (CID 63728392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).