6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine

C13H16N4S — CID 80883447

IUPAC6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Sc2ccc(C)cc2C)nc(N)n1
InChIInChI=1S/C13H16N4S/c1-8-4-5-10(9(2)6-8)18-12-7-11(15-3)16-13(14)17-12/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyTWICHQNKSORLAT-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.87
Rot. Bonds3

About 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine

6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80883447) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80883447
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Sc2ccc(C)cc2C)nc(N)n1
InChIInChI=1S/C13H16N4S/c1-8-4-5-10(9(2)6-8)18-12-7-11(15-3)16-13(14)17-12/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyTWICHQNKSORLAT-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethylphenyl)sulfanylpyrimidin-2-amine
CID 80882423
6-(3-chlorophenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80892292
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720134
6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80883538
6-(2,4-dimethylphenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80882424
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
CID 43436438
6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80884617
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893816
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
4-N-methyl-6-pentylsulfanylpyrimidine-2,4-diamine
CID 107765242

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine (CID 80883447) is 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine is CNc1cc(Sc2ccc(C)cc2C)nc(N)n1.
What is the InChIKey of 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is TWICHQNKSORLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-8-4-5-10(9(2)6-8)18-12-7-11(15-3)16-13(14)17-12/h4-7H,1-3H3,(H3,14,15,16,17).
What are the key properties of 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 260.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80883447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).