6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine

C15H18N6O — CID 71449867

IUPAC6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine
SMILESCN(C)Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C15H18N6O/c1-21(2)7-10-4-3-5-11(6-10)8-22-14-12-13(18-9-17-12)19-15(16)20-14/h3-6,9H,7-8H2,1-2H3,(H3,16,17,18,19,20)
InChIKeySGMHYUAQYLJKMP-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.58
Rot. Bonds5

About 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine

6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine (PubChem CID 71449867) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine
PubChem CID71449867
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine
SMILESCN(C)Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C15H18N6O/c1-21(2)7-10-4-3-5-11(6-10)8-22-14-12-13(18-9-17-12)19-15(16)20-14/h3-6,9H,7-8H2,1-2H3,(H3,16,17,18,19,20)
InChIKeySGMHYUAQYLJKMP-UHFFFAOYSA-N
XLogP1.58
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine (CID 71449867) is 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine is CN(C)Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine?
The InChIKey is SGMHYUAQYLJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-21(2)7-10-4-3-5-11(6-10)8-22-14-12-13(18-9-17-12)19-15(16)20-14/h3-6,9H,7-8H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine?
6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine has a molecular weight of 298.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(dimethylamino)methyl]phenyl]methoxy]-7H-purin-2-amine is sourced from PubChem (CID 71449867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).