4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine

C15H17ClN2S — CID 82169000

IUPAC4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(C)c(Cc2ccc(C)cc2)c(Cl)n1
InChIInChI=1S/C15H17ClN2S/c1-10-4-6-12(7-5-10)8-13-11(2)17-14(9-19-3)18-15(13)16/h4-7H,8-9H2,1-3H3
InChIKeyUWMDUEJIDKECOR-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.20
Rot. Bonds4

About 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine

4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine (PubChem CID 82169000) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine
PubChem CID82169000
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(C)c(Cc2ccc(C)cc2)c(Cl)n1
InChIInChI=1S/C15H17ClN2S/c1-10-4-6-12(7-5-10)8-13-11(2)17-14(9-19-3)18-15(13)16/h4-7H,8-9H2,1-3H3
InChIKeyUWMDUEJIDKECOR-UHFFFAOYSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine (CID 82169000) is 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine is CSCc1nc(C)c(Cc2ccc(C)cc2)c(Cl)n1.
What is the InChIKey of 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine?
The InChIKey is UWMDUEJIDKECOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-4-6-12(7-5-10)8-13-11(2)17-14(9-19-3)18-15(13)16/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine?
4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine has a molecular weight of 292.84 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 82169000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).