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

C11H15N5O2 — CID 114787546

IUPACN-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
SMILESCNc1nc(OCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5O2/c1-12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-2-3-17-4-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeySUFMMMAJKZZYSL-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.81
Rot. Bonds4

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

N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine (PubChem CID 114787546) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
PubChem CID114787546
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
SMILESCNc1nc(OCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5O2/c1-12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-2-3-17-4-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeySUFMMMAJKZZYSL-UHFFFAOYSA-N
XLogP0.81
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

O-(6)-Methylguanine
CID 65275
NU-2058
CID 4564
6-Ethoxypurine
CID 87338
O6-Substituted Guanine Deriv. 24
CID 5329510
6-Methoxy-9H-purine
CID 70632
O6-Allylguanine
CID 179571
6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine
CID 5329503
O6-Substituted Guanine Deriv. 27
CID 5329512
1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol
CID 445940
Purine, 2-amino-6-propoxy-
CID 95802
6-ethoxy-9H-purin-2-amine
CID 95805
O6-Substituted Guanine Deriv. 43
CID 3260009

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine?
The IUPAC name of N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine (CID 114787546) is N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine is CNc1nc(OCC2CCOC2)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine?
The InChIKey is SUFMMMAJKZZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-2-3-17-4-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine?
N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine has a molecular weight of 249.27 g/mol, XLogP of 0.81, 4 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-ylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).