(9-benzyl-2-chloropurin-6-yl)methanol

C13H11ClN4O — CID 11601518

IUPAC(9-benzyl-2-chloropurin-6-yl)methanol
SMILESOCc1nc(Cl)nc2c1ncn2Cc1ccccc1
InChIInChI=1S/C13H11ClN4O/c14-13-16-10(7-19)11-12(17-13)18(8-15-11)6-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2
InChIKeyAGRZRVAOVHTIAB-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.02
Rot. Bonds3

About (9-benzyl-2-chloropurin-6-yl)methanol

(9-benzyl-2-chloropurin-6-yl)methanol (PubChem CID 11601518) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is (9-benzyl-2-chloropurin-6-yl)methanol.

Molecular Properties

Compound Name(9-benzyl-2-chloropurin-6-yl)methanol
PubChem CID11601518
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name(9-benzyl-2-chloropurin-6-yl)methanol
SMILESOCc1nc(Cl)nc2c1ncn2Cc1ccccc1
InChIInChI=1S/C13H11ClN4O/c14-13-16-10(7-19)11-12(17-13)18(8-15-11)6-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2
InChIKeyAGRZRVAOVHTIAB-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,9-dibenzyl-2-chloropurine
CID 11759453
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
(9-benzyl-2-chloropurin-6-yl)-trimethylstannane;9-benzyl-2,6-dichloropurine
CID 161477758
6-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purine;bromozinc(1+);2,6-dichloro-9-[(4-methoxyphenyl)methyl]purine;methanidylbenzene
CID 161311648
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
9-benzyl-2,6-dimethoxypurine
CID 141432217
2-[3-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]acetic acid
CID 23158671
(9-benzyl-2-methoxypurin-6-yl)-phenylmethanone
CID 166453691
9-benzyl-2,6-diphenylpurine
CID 15499193
3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]benzoic acid
CID 171621037
2-chloro-9-[(3-methoxyphenyl)methyl]-N,N-dimethylpurin-6-amine
CID 3010194
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-2-chloropurin-6-yl)methanol?
The IUPAC name of (9-benzyl-2-chloropurin-6-yl)methanol (CID 11601518) is (9-benzyl-2-chloropurin-6-yl)methanol.
What is the SMILES notation for (9-benzyl-2-chloropurin-6-yl)methanol?
The canonical SMILES for (9-benzyl-2-chloropurin-6-yl)methanol is OCc1nc(Cl)nc2c1ncn2Cc1ccccc1.
What is the InChIKey of (9-benzyl-2-chloropurin-6-yl)methanol?
The InChIKey is AGRZRVAOVHTIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-13-16-10(7-19)11-12(17-13)18(8-15-11)6-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2.
What are the key properties of (9-benzyl-2-chloropurin-6-yl)methanol?
(9-benzyl-2-chloropurin-6-yl)methanol has a molecular weight of 274.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-2-chloropurin-6-yl)methanol is sourced from PubChem (CID 11601518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).