2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine

C15H18N6O — CID 167822982

IUPAC2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine
SMILESCOC(C)CNc1nc(Nc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C15H18N6O/c1-10(22-2)8-16-15-20-13-12(17-9-18-13)14(21-15)19-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyLNRYVQDNZPFPJJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.54
Rot. Bonds6

About 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine

2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine (PubChem CID 167822982) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine
PubChem CID167822982
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine
SMILESCOC(C)CNc1nc(Nc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C15H18N6O/c1-10(22-2)8-16-15-20-13-12(17-9-18-13)14(21-15)19-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyLNRYVQDNZPFPJJ-UHFFFAOYSA-N
XLogP2.54
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine (CID 167822982) is 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine is COC(C)CNc1nc(Nc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine?
The InChIKey is LNRYVQDNZPFPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10(22-2)8-16-15-20-13-12(17-9-18-13)14(21-15)19-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine?
2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine has a molecular weight of 298.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine is sourced from PubChem (CID 167822982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).