3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

C17H16N4O3S — CID 53311217

IUPAC3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ncc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C17H16N4O3S/c1-24-17-20-9-13(10-21-17)15-7-12(8-19-16(15)18)11-3-5-14(6-4-11)25(2,22)23/h3-10H,1-2H3,(H2,18,19)
InChIKeyXHOUEKXTVUWQCB-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.20
Rot. Bonds4

About 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 53311217) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID53311217
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ncc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C17H16N4O3S/c1-24-17-20-9-13(10-21-17)15-7-12(8-19-16(15)18)11-3-5-14(6-4-11)25(2,22)23/h3-10H,1-2H3,(H2,18,19)
InChIKeyXHOUEKXTVUWQCB-UHFFFAOYSA-N
XLogP2.20
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Mmv-048
CID 53311393
Pyrido(2,3-d)pyrimidine-2,4-diamine, 5-methyl-6-(((4-methylphenyl)thio)methyl)-
CID 464980
5-(4-Methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53259031
5-(4-Methylsulfonylphenyl)-3-(3-pyridyl)pyridin-2-amine
CID 53311135
4-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
CID 53311136
5-(4-Methylsulfonylphenyl)-3-(6-pyrrolidin-1-yl-3-pyridyl)pyridin-2-amine
CID 53311306
5-(4-Methylsulfonylphenyl)-3-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-amine
CID 53311310
3-(6-Methyl-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311392
5-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]pyrimidin-2-amine
CID 53311397
3-(6-Fluoro-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311562
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53311566
3,5-Bis(4-methylsulfonylphenyl)pyridin-2-amine
CID 53312146

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 53311217) is 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is COc1ncc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is XHOUEKXTVUWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-24-17-20-9-13(10-21-17)15-7-12(8-19-16(15)18)11-3-5-14(6-4-11)25(2,22)23/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 356.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 53311217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).