4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine

C12H13N3O2S — CID 2766290

IUPAC4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyXUOYIZBDMDPDEJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.51
Rot. Bonds2

About 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine

4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine (PubChem CID 2766290) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine
PubChem CID2766290
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyXUOYIZBDMDPDEJ-UHFFFAOYSA-N
XLogP1.51
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethyl-2-(phenylthio)pyrimidine
CID 723503
N-sec-butyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 45268661
4-(4-(Methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 23497471
4-(3-(Methylsulfonyl)phenyl)-6-propylpyrimidine-2-carbonitrile
CID 46881450
Desaminosulfamethazine
CID 188299
6-[(4-Methylphenyl)sulfanyl]pyrimidine-2,4-Diamine
CID 11096469
acs.jmedchem.1c00409_ST.263
CID 145963515
2-{[2-(Benzylsulfonyl)ethyl]sulfanyl}-4,6-dimethylpyrimidine
CID 675677
2-[(1,1-Dioxido-1-benzothien-3-yl)thio]-4,6-dimethylpyrimidine
CID 705143
4-methyl-2-[(4-methylphenyl)sulfonyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481078
N-methyl-4-[(4-methylphenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483267
N-methyl-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-pyrimidinamine
CID 1483268

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine (CID 2766290) is 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine is Cc1ccc(S(=O)(=O)c2cc(C)nc(N)n2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
The InChIKey is XUOYIZBDMDPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine?
4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine has a molecular weight of 263.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 2766290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).