9-ethyl-2-(2-phenylethoxy)purin-6-amine

C15H17N5O — CID 18440387

IUPAC9-ethyl-2-(2-phenylethoxy)purin-6-amine
SMILESCCn1cnc2c(N)nc(OCCc3ccccc3)nc21
InChIInChI=1S/C15H17N5O/c1-2-20-10-17-12-13(16)18-15(19-14(12)20)21-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,18,19)
InChIKeyUKELFVAQHJENMY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.05
Rot. Bonds5

About 9-ethyl-2-(2-phenylethoxy)purin-6-amine

9-ethyl-2-(2-phenylethoxy)purin-6-amine (PubChem CID 18440387) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 9-ethyl-2-(2-phenylethoxy)purin-6-amine.

Molecular Properties

Compound Name9-ethyl-2-(2-phenylethoxy)purin-6-amine
PubChem CID18440387
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name9-ethyl-2-(2-phenylethoxy)purin-6-amine
SMILESCCn1cnc2c(N)nc(OCCc3ccccc3)nc21
InChIInChI=1S/C15H17N5O/c1-2-20-10-17-12-13(16)18-15(19-14(12)20)21-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,18,19)
InChIKeyUKELFVAQHJENMY-UHFFFAOYSA-N
XLogP2.05
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(E)-hept-4-enyl]-2-(2-phenylethoxy)purin-6-amine
CID 18440388
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714
2-(2-phenylethoxy)-9-(1-pyridin-4-ylpropyl)purin-6-amine
CID 18440384
8-bromo-9-ethyl-2-(3-phenylpropoxy)purin-6-amine
CID 18440482
2-butoxy-9-[2-[4-(2-chloroethyl)phenoxy]ethyl]purin-6-amine
CID 23158497
2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-6-amine
CID 58445265
8-bromo-9-hept-4-enyl-2-(2-phenylethoxy)purin-6-amine
CID 69337041
[3-[(6-amino-2-butoxypurin-9-yl)methyl]phenyl]methyl-methylphosphinic acid
CID 68840552
9-[[4-(diethylphosphanylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)purin-6-amine
CID 141447965
CID 159412447
CID 159412447
methyl 2-[3-[(6-amino-2-butoxypurin-9-yl)methyl]phenyl]propanoate
CID 46196696
2-ethoxy-9-[(6-fluoro-3-pyridinyl)methyl]purin-6-amine
CID 138700825

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-(2-phenylethoxy)purin-6-amine?
The IUPAC name of 9-ethyl-2-(2-phenylethoxy)purin-6-amine (CID 18440387) is 9-ethyl-2-(2-phenylethoxy)purin-6-amine.
What is the SMILES notation for 9-ethyl-2-(2-phenylethoxy)purin-6-amine?
The canonical SMILES for 9-ethyl-2-(2-phenylethoxy)purin-6-amine is CCn1cnc2c(N)nc(OCCc3ccccc3)nc21.
What is the InChIKey of 9-ethyl-2-(2-phenylethoxy)purin-6-amine?
The InChIKey is UKELFVAQHJENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-20-10-17-12-13(16)18-15(19-14(12)20)21-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,18,19).
What are the key properties of 9-ethyl-2-(2-phenylethoxy)purin-6-amine?
9-ethyl-2-(2-phenylethoxy)purin-6-amine has a molecular weight of 283.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-(2-phenylethoxy)purin-6-amine is sourced from PubChem (CID 18440387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).