2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine

C15H24N6O — CID 143940325

IUPAC2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine
SMILESNc1nc(CCCCNCC2CCOCC2)nc2nc[nH]c12
InChIInChI=1S/C15H24N6O/c16-14-13-15(19-10-18-13)21-12(20-14)3-1-2-6-17-9-11-4-7-22-8-5-11/h10-11,17H,1-9H2,(H3,16,18,19,20,21)
InChIKeyWUIJKPSKTUWLEG-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.27
Rot. Bonds7

About 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine

2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine (PubChem CID 143940325) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine
PubChem CID143940325
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine
SMILESNc1nc(CCCCNCC2CCOCC2)nc2nc[nH]c12
InChIInChI=1S/C15H24N6O/c16-14-13-15(19-10-18-13)21-12(20-14)3-1-2-6-17-9-11-4-7-22-8-5-11/h10-11,17H,1-9H2,(H3,16,18,19,20,21)
InChIKeyWUIJKPSKTUWLEG-UHFFFAOYSA-N
XLogP1.27
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.27
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-octyl-7H-purin-6-amine
CID 139890933
2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine
CID 140539645
2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
CID 143940334
2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine
CID 143581709
2-ethyl-7H-purin-6-amine
CID 19795383
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005
6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623942
[2-(6-amino-7H-purin-2-yl)-1-deuterioethoxy]methylphosphonic acid
CID 175895615
2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
CID 113453025
6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
CID 114787653
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
CID 63712207

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine?
The IUPAC name of 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine (CID 143940325) is 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine?
The canonical SMILES for 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine is Nc1nc(CCCCNCC2CCOCC2)nc2nc[nH]c12.
What is the InChIKey of 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine?
The InChIKey is WUIJKPSKTUWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c16-14-13-15(19-10-18-13)21-12(20-14)3-1-2-6-17-9-11-4-7-22-8-5-11/h10-11,17H,1-9H2,(H3,16,18,19,20,21).
What are the key properties of 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine?
2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine has a molecular weight of 304.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine is sourced from PubChem (CID 143940325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).