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

C14H16N6O — CID 146985461

IUPAC6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
SMILESNCCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H16N6O/c15-6-5-9-1-3-10(4-2-9)7-21-13-11-12(18-8-17-11)19-14(16)20-13/h1-4,8H,5-7,15H2,(H3,16,17,18,19,20)
InChIKeyAPDLKUSBTQXHLN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.02
Rot. Bonds5

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

6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine (PubChem CID 146985461) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
PubChem CID146985461
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
SMILESNCCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H16N6O/c15-6-5-9-1-3-10(4-2-9)7-21-13-11-12(18-8-17-11)19-14(16)20-13/h1-4,8H,5-7,15H2,(H3,16,17,18,19,20)
InChIKeyAPDLKUSBTQXHLN-UHFFFAOYSA-N
XLogP1.02
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine (CID 146985461) is 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine is NCCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine?
The InChIKey is APDLKUSBTQXHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-6-5-9-1-3-10(4-2-9)7-21-13-11-12(18-8-17-11)19-14(16)20-13/h1-4,8H,5-7,15H2,(H3,16,17,18,19,20).
What are the key properties of 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine?
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine has a molecular weight of 284.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine is sourced from PubChem (CID 146985461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).