4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine

C12H13N3O2S — CID 82485984

IUPAC4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine
SMILESCc1ncnc(-c2ccc(S(C)(=O)=O)cc2)c1N
InChIInChI=1S/C12H13N3O2S/c1-8-11(13)12(15-7-14-8)9-3-5-10(6-4-9)18(2,16)17/h3-7H,13H2,1-2H3
InChIKeyJXZGOXDHUJOVGM-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.44
Rot. Bonds2

About 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine

4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine (PubChem CID 82485984) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine
PubChem CID82485984
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine
SMILESCc1ncnc(-c2ccc(S(C)(=O)=O)cc2)c1N
InChIInChI=1S/C12H13N3O2S/c1-8-11(13)12(15-7-14-8)9-3-5-10(6-4-9)18(2,16)17/h3-7H,13H2,1-2H3
InChIKeyJXZGOXDHUJOVGM-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58269223
4-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 137366321
3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 175401274
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
ethyl 5-(4-methylsulfonylphenyl)-2H-triazole-4-carboxylate
CID 169398981
6-chloro-4-N-(4-methylsulfonylphenyl)pyrimidine-4,5-diamine
CID 55144269
N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide
CID 70671660
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
5-[6-(ethylamino)-3-pyridinyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 70671765
5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 72876342
3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 54227856

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine?
The IUPAC name of 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine (CID 82485984) is 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine.
What is the SMILES notation for 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine?
The canonical SMILES for 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine is Cc1ncnc(-c2ccc(S(C)(=O)=O)cc2)c1N.
What is the InChIKey of 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine?
The InChIKey is JXZGOXDHUJOVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-11(13)12(15-7-14-8)9-3-5-10(6-4-9)18(2,16)17/h3-7H,13H2,1-2H3.
What are the key properties of 4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine?
4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine has a molecular weight of 263.32 g/mol, XLogP of 1.44, 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-methylsulfonylphenyl)pyrimidin-5-amine is sourced from PubChem (CID 82485984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).