2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine

C19H19N7O2S — CID 73425352

IUPAC2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine
SMILESCN(Cc1ccccn1)c1nc(Nc2ccc(S(C)(=O)=O)cc2)c2[nH]cnc2n1
InChIInChI=1S/C19H19N7O2S/c1-26(11-14-5-3-4-10-20-14)19-24-17-16(21-12-22-17)18(25-19)23-13-6-8-15(9-7-13)29(2,27)28/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyNVWBZQAMAXOUTB-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.53
Rot. Bonds6

About 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine

2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine (PubChem CID 73425352) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine
PubChem CID73425352
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine
SMILESCN(Cc1ccccn1)c1nc(Nc2ccc(S(C)(=O)=O)cc2)c2[nH]cnc2n1
InChIInChI=1S/C19H19N7O2S/c1-26(11-14-5-3-4-10-20-14)19-24-17-16(21-12-22-17)18(25-19)23-13-6-8-15(9-7-13)29(2,27)28/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyNVWBZQAMAXOUTB-UHFFFAOYSA-N
XLogP2.53
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine (CID 73425352) is 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine is CN(Cc1ccccn1)c1nc(Nc2ccc(S(C)(=O)=O)cc2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine?
The InChIKey is NVWBZQAMAXOUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-26(11-14-5-3-4-10-20-14)19-24-17-16(21-12-22-17)18(25-19)23-13-6-8-15(9-7-13)29(2,27)28/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine has a molecular weight of 409.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 73425352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).