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

C14H24N6O — CID 114786369

IUPAC6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCCCOCCCNc1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C14H24N6O/c1-3-5-8-21-9-6-7-16-12-11-13(18-10-17-11)20-14(19-12)15-4-2/h10H,3-9H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyMTVZRXJSLZTXDR-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.40
Rot. Bonds10

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

6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 114786369) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID114786369
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCCCOCCCNc1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C14H24N6O/c1-3-5-8-21-9-6-7-16-12-11-13(18-10-17-11)20-14(19-12)15-4-2/h10H,3-9H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyMTVZRXJSLZTXDR-UHFFFAOYSA-N
XLogP2.40
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.40
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

2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
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-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785147
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine (CID 114786369) is 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine is CCCCOCCCNc1nc(NCC)nc2nc[nH]c12.
What is the InChIKey of 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is MTVZRXJSLZTXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-5-8-21-9-6-7-16-12-11-13(18-10-17-11)20-14(19-12)15-4-2/h10H,3-9H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine?
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 292.39 g/mol, XLogP of 2.40, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114786369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).