6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine

C14H16N6O — CID 39377702

IUPAC6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
SMILESCOc1ccc(CCNc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H16N6O/c1-21-10-4-2-9(3-5-10)6-7-16-12-11-13(18-8-17-11)20-14(15)19-12/h2-5,8H,6-7H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyCFRHMFVVVITVBP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.60
Rot. Bonds5

About 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine

6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine (PubChem CID 39377702) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
PubChem CID39377702
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
SMILESCOc1ccc(CCNc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H16N6O/c1-21-10-4-2-9(3-5-10)6-7-16-12-11-13(18-8-17-11)20-14(15)19-12/h2-5,8H,6-7H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyCFRHMFVVVITVBP-UHFFFAOYSA-N
XLogP1.60
TPSA101.74 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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
N-cyclopropyl-4-[6-[2-(4-methoxyphenyl)ethylamino]-7H-purin-2-yl]benzamide
CID 117081710
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 117083517
6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 167789503
6-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purine-2,6-diamine
CID 86271803
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine (CID 39377702) is 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine is COc1ccc(CCNc2nc(N)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is CFRHMFVVVITVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-21-10-4-2-9(3-5-10)6-7-16-12-11-13(18-8-17-11)20-14(15)19-12/h2-5,8H,6-7H2,1H3,(H4,15,16,17,18,19,20).
What are the key properties of 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 284.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 39377702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).