6-chloro-9-ethenylpurin-2-amine

C7H6ClN5 — CID 15374495

IUPAC6-chloro-9-ethenylpurin-2-amine
SMILESC=Cn1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C7H6ClN5/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h2-3H,1H2,(H2,9,11,12)
InChIKeyUAIYOQSTJKYFFL-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.16
Rot. Bonds1

About 6-chloro-9-ethenylpurin-2-amine

6-chloro-9-ethenylpurin-2-amine (PubChem CID 15374495) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 6-chloro-9-ethenylpurin-2-amine.

Molecular Properties

Compound Name6-chloro-9-ethenylpurin-2-amine
PubChem CID15374495
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name6-chloro-9-ethenylpurin-2-amine
SMILESC=Cn1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C7H6ClN5/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h2-3H,1H2,(H2,9,11,12)
InChIKeyUAIYOQSTJKYFFL-UHFFFAOYSA-N
XLogP1.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-9-[(E)-prop-1-enyl]purin-2-amine
CID 71615634
[(2Z)-2-[(2-amino-6-chloropurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 11778491
[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol
CID 11087436
9-ethenylpurin-2-amine
CID 22555835
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836
6-chloro-9-pentylpurin-2-amine
CID 139201177
[(2Z)-2-[(2-amino-6-chloropurin-9-yl)methylidene]-1-ethynylcyclopropyl]methanol
CID 102575305
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
6-chloro-9-(1-phenyl-2-prop-2-enoxyethyl)purin-2-amine
CID 86218752
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382
[(Z)-5-(2-amino-6-chloropurin-9-yl)pent-3-enyl]phosphonic acid
CID 88548050
(2R,3S,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-4-ethenyl-2-(hydroxymethyl)oxolan-3-ol
CID 166877500

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-ethenylpurin-2-amine?
The IUPAC name of 6-chloro-9-ethenylpurin-2-amine (CID 15374495) is 6-chloro-9-ethenylpurin-2-amine.
What is the SMILES notation for 6-chloro-9-ethenylpurin-2-amine?
The canonical SMILES for 6-chloro-9-ethenylpurin-2-amine is C=Cn1cnc2c(Cl)nc(N)nc21.
What is the InChIKey of 6-chloro-9-ethenylpurin-2-amine?
The InChIKey is UAIYOQSTJKYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h2-3H,1H2,(H2,9,11,12).
What are the key properties of 6-chloro-9-ethenylpurin-2-amine?
6-chloro-9-ethenylpurin-2-amine has a molecular weight of 195.61 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethenylpurin-2-amine is sourced from PubChem (CID 15374495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).