6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine

C13H14N6O — CID 25149605

IUPAC6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine
SMILESNCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)
InChIKeyUINSGVKWAFJDPI-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.97
Rot. Bonds4

About 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine

6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine (PubChem CID 25149605) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine
PubChem CID25149605
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine
SMILESNCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)
InChIKeyUINSGVKWAFJDPI-UHFFFAOYSA-N
XLogP0.97
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Phenylmethoxy)-9H-purin-2-amine
CID 4578
2-Anilino-6-cyclohexylmethoxypurine
CID 1540
6-Benzyloxypurine
CID 853677
6-Cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
CID 447649
7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 6418797
6-Cyclohexylmethoxy-2-(3'-chloroanilino) purine
CID 4565
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
O6-Substituted Guanine Deriv. 32
CID 5329516
O6-Cyclohexylmethylguanine deriv. 20
CID 5329555
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560
O6-Cyclohexylmethylguanine deriv. 42
CID 5329573
6-[(2~{r})-2-[(2-Methylphenoxy)methyl]pyrrolidin-1-Yl]-7~{h}-Purine
CID 16005070

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine (CID 25149605) is 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine is NCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine?
The InChIKey is UINSGVKWAFJDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19).
What are the key properties of 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine?
6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine has a molecular weight of 270.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine is sourced from PubChem (CID 25149605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).