N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine

C10H13N5O2 — CID 114787729

IUPACN-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
SMILESCNc1nc(OC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O2/c1-11-10-14-8-7(12-5-13-8)9(15-10)17-6-2-3-16-4-6/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyYILBTFRJFQJBPO-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.56
Rot. Bonds3

About N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine

N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine (PubChem CID 114787729) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
PubChem CID114787729
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
SMILESCNc1nc(OC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O2/c1-11-10-14-8-7(12-5-13-8)9(15-10)17-6-2-3-16-4-6/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyYILBTFRJFQJBPO-UHFFFAOYSA-N
XLogP0.56
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine?
The IUPAC name of N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine (CID 114787729) is N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine is CNc1nc(OC2CCOC2)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine?
The InChIKey is YILBTFRJFQJBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-11-10-14-8-7(12-5-13-8)9(15-10)17-6-2-3-16-4-6/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine?
N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine has a molecular weight of 235.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine is sourced from PubChem (CID 114787729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).