6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine

C15H19N3S — CID 47424857

IUPAC6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(C)c(CSc2nc(C)cc(N)n2)c(C)c1
InChIInChI=1S/C15H19N3S/c1-9-5-10(2)13(11(3)6-9)8-19-15-17-12(4)7-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeyTYCMEVJPCOXPJW-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.58
Rot. Bonds3

About 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine

6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 47424857) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID47424857
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(C)c(CSc2nc(C)cc(N)n2)c(C)c1
InChIInChI=1S/C15H19N3S/c1-9-5-10(2)13(11(3)6-9)8-19-15-17-12(4)7-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeyTYCMEVJPCOXPJW-UHFFFAOYSA-N
XLogP3.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine (CID 47424857) is 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine is Cc1cc(C)c(CSc2nc(C)cc(N)n2)c(C)c1.
What is the InChIKey of 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is TYCMEVJPCOXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-9-5-10(2)13(11(3)6-9)8-19-15-17-12(4)7-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 47424857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).