4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine

C13H16N4S — CID 80817452

IUPAC4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(N(C)c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4S/c1-9-4-6-10(7-5-9)17(2)12-8-11(14)15-13(16-12)18-3/h4-8H,1-3H3,(H2,14,15,16)
InChIKeyTWYABPRJMMZSRT-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.86
Rot. Bonds3

About 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80817452) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80817452
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(N(C)c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4S/c1-9-4-6-10(7-5-9)17(2)12-8-11(14)15-13(16-12)18-3/h4-8H,1-3H3,(H2,14,15,16)
InChIKeyTWYABPRJMMZSRT-UHFFFAOYSA-N
XLogP2.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80817452) is 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(N(C)c2ccc(C)cc2)n1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is TWYABPRJMMZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-4-6-10(7-5-9)17(2)12-8-11(14)15-13(16-12)18-3/h4-8H,1-3H3,(H2,14,15,16).
What are the key properties of 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 260.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80817452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).