6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine

C15H19N3O3S — CID 171483434

IUPAC6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine
SMILESCOc1ccc(CN(C)c2ccc(S(C)(=O)=O)c(N)n2)cc1
InChIInChI=1S/C15H19N3O3S/c1-18(10-11-4-6-12(21-2)7-5-11)14-9-8-13(15(16)17-14)22(3,19)20/h4-9H,10H2,1-3H3,(H2,16,17)
InChIKeyCKXYBTSDYHGSIH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.71
Rot. Bonds5

About 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine

6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine (PubChem CID 171483434) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine
PubChem CID171483434
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine
SMILESCOc1ccc(CN(C)c2ccc(S(C)(=O)=O)c(N)n2)cc1
InChIInChI=1S/C15H19N3O3S/c1-18(10-11-4-6-12(21-2)7-5-11)14-9-8-13(15(16)17-14)22(3,19)20/h4-9H,10H2,1-3H3,(H2,16,17)
InChIKeyCKXYBTSDYHGSIH-UHFFFAOYSA-N
XLogP1.71
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 155123145
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
N-[(4-methoxyphenyl)methyl]-N-methyl-4-methylsulfonyl-1,3-benzothiazol-2-amine
CID 165435955
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62294612
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
N-[(4-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 165435434
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine (CID 171483434) is 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine is COc1ccc(CN(C)c2ccc(S(C)(=O)=O)c(N)n2)cc1.
What is the InChIKey of 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine?
The InChIKey is CKXYBTSDYHGSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18(10-11-4-6-12(21-2)7-5-11)14-9-8-13(15(16)17-14)22(3,19)20/h4-9H,10H2,1-3H3,(H2,16,17).
What are the key properties of 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine?
6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine has a molecular weight of 321.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine is sourced from PubChem (CID 171483434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).