6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine

C12H14N4S — CID 56919796

IUPAC6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1ccccc1Nc1cc(C)nc(N)n1
InChIInChI=1S/C12H14N4S/c1-8-7-11(16-12(13)14-8)15-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3,(H3,13,14,15,16)
InChIKeySRSIUZIJKGYFOA-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.83
Rot. Bonds3

About 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine

6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 56919796) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID56919796
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1ccccc1Nc1cc(C)nc(N)n1
InChIInChI=1S/C12H14N4S/c1-8-7-11(16-12(13)14-8)15-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3,(H3,13,14,15,16)
InChIKeySRSIUZIJKGYFOA-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine (CID 56919796) is 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine is CSc1ccccc1Nc1cc(C)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SRSIUZIJKGYFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-7-11(16-12(13)14-8)15-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3,(H3,13,14,15,16).
What are the key properties of 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-methylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 56919796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).