6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine

C11H13N5O — CID 15223646

IUPAC6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
SMILESC=C1CC(n2cnc3c(OC)nc(N)nc32)C1
InChIInChI=1S/C11H13N5O/c1-6-3-7(4-6)16-5-13-8-9(16)14-11(12)15-10(8)17-2/h5,7H,1,3-4H2,2H3,(H2,12,14,15)
InChIKeyFDVWZSMCYAOMKZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.31
Rot. Bonds2

About 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine

6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine (PubChem CID 15223646) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine.

Molecular Properties

Compound Name6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
PubChem CID15223646
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
SMILESC=C1CC(n2cnc3c(OC)nc(N)nc32)C1
InChIInChI=1S/C11H13N5O/c1-6-3-7(4-6)16-5-13-8-9(16)14-11(12)15-10(8)17-2/h5,7H,1,3-4H2,2H3,(H2,12,14,15)
InChIKeyFDVWZSMCYAOMKZ-UHFFFAOYSA-N
XLogP1.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine
CID 134895588
9-(3-ethoxy-5-methyloxolan-2-yl)-6-methoxypurin-2-amine
CID 137401300
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride
CID 3081836
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 18968724
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 139619795
[(1S,4R)-4-(2-amino-6-methoxypurin-9-yl)cyclopent-2-en-1-yl]oxy-dihydroxy-methylphosphanium;molecular hydrogen
CID 175104237
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine?
The IUPAC name of 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine (CID 15223646) is 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine.
What is the SMILES notation for 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine?
The canonical SMILES for 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine is C=C1CC(n2cnc3c(OC)nc(N)nc32)C1.
What is the InChIKey of 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine?
The InChIKey is FDVWZSMCYAOMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6-3-7(4-6)16-5-13-8-9(16)14-11(12)15-10(8)17-2/h5,7H,1,3-4H2,2H3,(H2,12,14,15).
What are the key properties of 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine?
6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine has a molecular weight of 231.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine is sourced from PubChem (CID 15223646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).