6-chloro-9-[(E)-prop-1-enyl]purin-2-amine

C8H8ClN5 — CID 71615634

IUPAC6-chloro-9-[(E)-prop-1-enyl]purin-2-amine
SMILESC/C=C/n1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C8H8ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h2-4H,1H3,(H2,10,12,13)/b3-2+
InChIKeyXFCNDOZDVZXXHK-NSCUHMNNSA-N
MW209.64 g/mol
LogP1.55
Rot. Bonds1

About 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine

6-chloro-9-[(E)-prop-1-enyl]purin-2-amine (PubChem CID 71615634) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(E)-prop-1-enyl]purin-2-amine
PubChem CID71615634
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name6-chloro-9-[(E)-prop-1-enyl]purin-2-amine
SMILESC/C=C/n1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C8H8ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h2-4H,1H3,(H2,10,12,13)/b3-2+
InChIKeyXFCNDOZDVZXXHK-NSCUHMNNSA-N
XLogP1.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-9-ethenylpurin-2-amine
CID 15374495
[(2Z)-2-[(2-amino-6-chloropurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 11778491
[[(Z)-4-(2-amino-6-chloropurin-9-yl)but-3-enyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 123364298
[(2Z)-2-[(2-amino-6-chloropurin-9-yl)methylidene]-1-ethynylcyclopropyl]methanol
CID 102575305
[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol
CID 11087436
6-chloro-9-pentylpurin-2-amine
CID 139201177
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
2-amino-N-tert-butyl-6-chloropurine-9-carboxamide
CID 87502615
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836
6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine
CID 11781483
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
CID 89371902
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine (CID 71615634) is 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine is C/C=C/n1cnc2c(Cl)nc(N)nc21.
What is the InChIKey of 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine?
The InChIKey is XFCNDOZDVZXXHK-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h2-4H,1H3,(H2,10,12,13)/b3-2+.
What are the key properties of 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine?
6-chloro-9-[(E)-prop-1-enyl]purin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(E)-prop-1-enyl]purin-2-amine is sourced from PubChem (CID 71615634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).