N-(3-methoxypropyl)-7H-purin-6-amine

C9H13N5O — CID 2155044

IUPACN-(3-methoxypropyl)-7H-purin-6-amine
SMILESCOCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-15-4-2-3-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyBUGJFSHIPBSLKT-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.80
Rot. Bonds5

About N-(3-methoxypropyl)-7H-purin-6-amine

N-(3-methoxypropyl)-7H-purin-6-amine (PubChem CID 2155044) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(3-methoxypropyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-7H-purin-6-amine
PubChem CID2155044
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-(3-methoxypropyl)-7H-purin-6-amine
SMILESCOCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-15-4-2-3-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyBUGJFSHIPBSLKT-UHFFFAOYSA-N
XLogP0.80
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-7H-purin-6-amine?
The IUPAC name of N-(3-methoxypropyl)-7H-purin-6-amine (CID 2155044) is N-(3-methoxypropyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3-methoxypropyl)-7H-purin-6-amine?
The canonical SMILES for N-(3-methoxypropyl)-7H-purin-6-amine is COCCCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-(3-methoxypropyl)-7H-purin-6-amine?
The InChIKey is BUGJFSHIPBSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-15-4-2-3-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-(3-methoxypropyl)-7H-purin-6-amine?
N-(3-methoxypropyl)-7H-purin-6-amine has a molecular weight of 207.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-7H-purin-6-amine is sourced from PubChem (CID 2155044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).