N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine

C13H19N5O — CID 71977931

IUPACN-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine
SMILESCC(C)C1OCCC1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C13H19N5O/c1-8(2)11-9(3-4-19-11)5-14-12-10-13(16-6-15-10)18-7-17-12/h6-9,11H,3-5H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySDKHAPUUIRRSNZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.83
Rot. Bonds4

About N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine

N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine (PubChem CID 71977931) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine
PubChem CID71977931
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine
SMILESCC(C)C1OCCC1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C13H19N5O/c1-8(2)11-9(3-4-19-11)5-14-12-10-13(16-6-15-10)18-7-17-12/h6-9,11H,3-5H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySDKHAPUUIRRSNZ-UHFFFAOYSA-N
XLogP1.83
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine (CID 71977931) is N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine is CC(C)C1OCCC1CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine?
The InChIKey is SDKHAPUUIRRSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(2)11-9(3-4-19-11)5-14-12-10-13(16-6-15-10)18-7-17-12/h6-9,11H,3-5H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine?
N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine has a molecular weight of 261.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 71977931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).