2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine

C15H18N6O3 — CID 174749279

IUPAC2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(N(C)c2nc(N)c3[nH]cnc3n2)cc(OC)c1OC
InChIInChI=1S/C15H18N6O3/c1-21(15-19-13(16)11-14(20-15)18-7-17-11)8-5-9(22-2)12(24-4)10(6-8)23-3/h5-7H,1-4H3,(H3,16,17,18,19,20)
InChIKeyGZXSROARFHLSMV-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.73
Rot. Bonds5

About 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine

2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine (PubChem CID 174749279) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
PubChem CID174749279
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(N(C)c2nc(N)c3[nH]cnc3n2)cc(OC)c1OC
InChIInChI=1S/C15H18N6O3/c1-21(15-19-13(16)11-14(20-15)18-7-17-11)8-5-9(22-2)12(24-4)10(6-8)23-3/h5-7H,1-4H3,(H3,16,17,18,19,20)
InChIKeyGZXSROARFHLSMV-UHFFFAOYSA-N
XLogP1.73
TPSA111.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine (CID 174749279) is 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine is COc1cc(N(C)c2nc(N)c3[nH]cnc3n2)cc(OC)c1OC.
What is the InChIKey of 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
The InChIKey is GZXSROARFHLSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-21(15-19-13(16)11-14(20-15)18-7-17-11)8-5-9(22-2)12(24-4)10(6-8)23-3/h5-7H,1-4H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine has a molecular weight of 330.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 174749279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).