benzyl N-(6-chloro-7H-purin-2-yl)carbamate

C13H10ClN5O2 — CID 130581137

IUPACbenzyl N-(6-chloro-7H-purin-2-yl)carbamate
SMILESO=C(Nc1nc(Cl)c2[nH]cnc2n1)OCc1ccccc1
InChIInChI=1S/C13H10ClN5O2/c14-10-9-11(16-7-15-9)18-12(17-10)19-13(20)21-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,15,16,17,18,19,20)
InChIKeyUHGGZVSJBNGBPC-UHFFFAOYSA-N
MW303.71 g/mol
LogP2.76
Rot. Bonds3

About benzyl N-(6-chloro-7H-purin-2-yl)carbamate

benzyl N-(6-chloro-7H-purin-2-yl)carbamate (PubChem CID 130581137) has the molecular formula C13H10ClN5O2 and a molecular weight of 303.71 g/mol. Its IUPAC name is benzyl N-(6-chloro-7H-purin-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-chloro-7H-purin-2-yl)carbamate
PubChem CID130581137
Molecular FormulaC13H10ClN5O2
Molecular Weight303.71 g/mol
Exact Mass303.05
IUPAC Namebenzyl N-(6-chloro-7H-purin-2-yl)carbamate
SMILESO=C(Nc1nc(Cl)c2[nH]cnc2n1)OCc1ccccc1
InChIInChI=1S/C13H10ClN5O2/c14-10-9-11(16-7-15-9)18-12(17-10)19-13(20)21-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,15,16,17,18,19,20)
InChIKeyUHGGZVSJBNGBPC-UHFFFAOYSA-N
XLogP2.76
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzoic acid;2,6-dichloro-7H-purine
CID 155059371
N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
CID 114052468
benzyl N-(4-formylpyrimidin-2-yl)carbamate;hydrochloride
CID 135370586
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
5-bromo-2-(phenylmethoxycarbonylamino)pyrimidine-4-carboxylic acid
CID 167740348
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136
(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate
CID 13232339
benzyl N-benzoyl-N-(6-oxo-1,7-dihydropurin-2-yl)carbamate
CID 175814520
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-chloro-7H-purin-2-yl)carbamate?
The IUPAC name of benzyl N-(6-chloro-7H-purin-2-yl)carbamate (CID 130581137) is benzyl N-(6-chloro-7H-purin-2-yl)carbamate.
What is the SMILES notation for benzyl N-(6-chloro-7H-purin-2-yl)carbamate?
The canonical SMILES for benzyl N-(6-chloro-7H-purin-2-yl)carbamate is O=C(Nc1nc(Cl)c2[nH]cnc2n1)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-chloro-7H-purin-2-yl)carbamate?
The InChIKey is UHGGZVSJBNGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2/c14-10-9-11(16-7-15-9)18-12(17-10)19-13(20)21-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,15,16,17,18,19,20).
What are the key properties of benzyl N-(6-chloro-7H-purin-2-yl)carbamate?
benzyl N-(6-chloro-7H-purin-2-yl)carbamate has a molecular weight of 303.71 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-chloro-7H-purin-2-yl)carbamate is sourced from PubChem (CID 130581137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).