2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

C15H19N3O2S — CID 78909887

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(CSc2nc(C)cc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O2S/c1-9-5-12(19-3)13(20-4)7-11(9)8-21-15-17-10(2)6-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeySDHLXKKKMYSPDZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 78909887) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID78909887
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(CSc2nc(C)cc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O2S/c1-9-5-12(19-3)13(20-4)7-11(9)8-21-15-17-10(2)6-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeySDHLXKKKMYSPDZ-UHFFFAOYSA-N
XLogP2.99
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 78909887) is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is COc1cc(C)c(CSc2nc(C)cc(N)n2)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is SDHLXKKKMYSPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-5-12(19-3)13(20-4)7-11(9)8-21-15-17-10(2)6-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 78909887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).