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

C10H10ClN5 — CID 134895588

IUPAC2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine
SMILESC=C1CC(n2cnc3c(N)nc(Cl)nc32)C1
InChIInChI=1S/C10H10ClN5/c1-5-2-6(3-5)16-4-13-7-8(12)14-10(11)15-9(7)16/h4,6H,1-3H2,(H2,12,14,15)
InChIKeyUUVFZCLVGTXVOE-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.95
Rot. Bonds1

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

2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine (PubChem CID 134895588) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine
PubChem CID134895588
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine
SMILESC=C1CC(n2cnc3c(N)nc(Cl)nc32)C1
InChIInChI=1S/C10H10ClN5/c1-5-2-6(3-5)16-4-13-7-8(12)14-10(11)15-9(7)16/h4,6H,1-3H2,(H2,12,14,15)
InChIKeyUUVFZCLVGTXVOE-UHFFFAOYSA-N
XLogP1.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
CID 15223646
(1S,2S,4R)-4-(6-amino-2-chloropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 138678526
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
(2R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 87672546
(3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 134235464
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 10039594
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
[(2S,3R,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
CID 101038148
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(2R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
CID 89189091
9-(aminomethyl)-2-chloropurin-6-amine
CID 156571755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine?
The IUPAC name of 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine (CID 134895588) is 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine.
What is the SMILES notation for 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine?
The canonical SMILES for 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine is C=C1CC(n2cnc3c(N)nc(Cl)nc32)C1.
What is the InChIKey of 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine?
The InChIKey is UUVFZCLVGTXVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-5-2-6(3-5)16-4-13-7-8(12)14-10(11)15-9(7)16/h4,6H,1-3H2,(H2,12,14,15).
What are the key properties of 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine?
2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine has a molecular weight of 235.68 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine is sourced from PubChem (CID 134895588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).