2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine

C11H18N6O — CID 114783752

IUPAC2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCCOC)c2[nH]cnc2n1
InChIInChI=1S/C11H18N6O/c1-3-12-11-16-9(13-5-4-6-18-2)8-10(17-11)15-7-14-8/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyYBDHCZGYNFZALC-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.23
Rot. Bonds7

About 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine (PubChem CID 114783752) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
PubChem CID114783752
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCCOC)c2[nH]cnc2n1
InChIInChI=1S/C11H18N6O/c1-3-12-11-16-9(13-5-4-6-18-2)8-10(17-11)15-7-14-8/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyYBDHCZGYNFZALC-UHFFFAOYSA-N
XLogP1.23
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
CID 114788267

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine (CID 114783752) is 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine is CCNc1nc(NCCCOC)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
The InChIKey is YBDHCZGYNFZALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-3-12-11-16-9(13-5-4-6-18-2)8-10(17-11)15-7-14-8/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine has a molecular weight of 250.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114783752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).