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

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 80654802
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78909887
2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 106864097
6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine
CID 78911841
2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
CID 79026200
6-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine
CID 78961995
2-[(3,4-difluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 54028339
6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
CID 78911837
6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
CID 79005466
6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80653859
2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331085
2-[(E)-but-2-enyl]sulfanyl-6-methylpyrimidin-4-amine
CID 115279575

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).