2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine

C15H18N2S — CID 116896974

IUPAC2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine
SMILESCc1cc(-c2ccc(SC(C)C)cc2)nc(C)n1
InChIInChI=1S/C15H18N2S/c1-10(2)18-14-7-5-13(6-8-14)15-9-11(3)16-12(4)17-15/h5-10H,1-4H3
InChIKeyDPPVSFPKQDFLAD-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.26
Rot. Bonds3

About 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine

2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine (PubChem CID 116896974) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine
PubChem CID116896974
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine
SMILESCc1cc(-c2ccc(SC(C)C)cc2)nc(C)n1
InChIInChI=1S/C15H18N2S/c1-10(2)18-14-7-5-13(6-8-14)15-9-11(3)16-12(4)17-15/h5-10H,1-4H3
InChIKeyDPPVSFPKQDFLAD-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine?
The IUPAC name of 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine (CID 116896974) is 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine is Cc1cc(-c2ccc(SC(C)C)cc2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine?
The InChIKey is DPPVSFPKQDFLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10(2)18-14-7-5-13(6-8-14)15-9-11(3)16-12(4)17-15/h5-10H,1-4H3.
What are the key properties of 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine?
2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine has a molecular weight of 258.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4-propan-2-ylsulfanylphenyl)pyrimidine is sourced from PubChem (CID 116896974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).