6-chloro-7H-purine

C5H3ClN4 — CID 53349102

IUPAC6-chloro-7H-purine
SMILESClc1n[13cH]nc2nc[15nH]c12
InChIInChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)/i2+1,7+1
InChIKeyZKBQDFAWXLTYKS-MYEGTEPLSA-N
MW156.55 g/mol
LogP1.01
Rot. Bonds

About 6-chloro-7H-purine

6-chloro-7H-purine (PubChem CID 53349102) has the molecular formula C5H3ClN4 and a molecular weight of 156.55 g/mol. Its IUPAC name is 6-chloro-7H-purine.

Molecular Properties

Compound Name6-chloro-7H-purine
PubChem CID53349102
Molecular FormulaC5H3ClN4
Molecular Weight156.55 g/mol
Exact Mass156.01
IUPAC Name6-chloro-7H-purine
SMILESClc1n[13cH]nc2nc[15nH]c12
InChIInChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)/i2+1,7+1
InChIKeyZKBQDFAWXLTYKS-MYEGTEPLSA-N
XLogP1.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.55
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-7H-purine
CID 5359277
6-chloro-7H-purine;propan-2-one
CID 87503855
7H-purin-6-amine;hydrochloride
CID 169432832
2,6-dichloro-7H-purine
CID 10750289
CID 67796265
CID 67796265
4-chloro-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137131854
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
6-(3-chloropyridazin-4-yl)-7H-purine
CID 164905912
6-chloro-7H-purine;ethane;2-(hydroxymethyl)oxepane-3,4-diol
CID 143417496
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
methanol;7H-purin-6-amine
CID 67194832
N-(7H-purin-6-yl)hydroxylamine
CID 21876

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7H-purine?
The IUPAC name of 6-chloro-7H-purine (CID 53349102) is 6-chloro-7H-purine.
What is the SMILES notation for 6-chloro-7H-purine?
The canonical SMILES for 6-chloro-7H-purine is Clc1n[13cH]nc2nc[15nH]c12.
What is the InChIKey of 6-chloro-7H-purine?
The InChIKey is ZKBQDFAWXLTYKS-MYEGTEPLSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)/i2+1,7+1.
What are the key properties of 6-chloro-7H-purine?
6-chloro-7H-purine has a molecular weight of 156.55 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7H-purine is sourced from PubChem (CID 53349102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).