N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine

C16H19N5O — CID 5164062

IUPACN-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine
SMILESCCCN(c1ccc(OCC)cc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H19N5O/c1-3-9-21(12-5-7-13(8-6-12)22-4-2)16-14-15(18-10-17-14)19-11-20-16/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19,20)
InChIKeyUPBOGAHZOGUHIV-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.30
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine

N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine (PubChem CID 5164062) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine
PubChem CID5164062
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine
SMILESCCCN(c1ccc(OCC)cc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H19N5O/c1-3-9-21(12-5-7-13(8-6-12)22-4-2)16-14-15(18-10-17-14)19-11-20-16/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19,20)
InChIKeyUPBOGAHZOGUHIV-UHFFFAOYSA-N
XLogP3.30
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine?
The IUPAC name of N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine (CID 5164062) is N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine is CCCN(c1ccc(OCC)cc1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine?
The InChIKey is UPBOGAHZOGUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-9-21(12-5-7-13(8-6-12)22-4-2)16-14-15(18-10-17-14)19-11-20-16/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine?
N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine has a molecular weight of 297.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-propyl-7H-purin-6-amine is sourced from PubChem (CID 5164062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).