6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine

C12H10ClN5O — CID 5329518

IUPAC6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2cccc(Cl)c2)c2[nH]cnc2n1
InChIInChI=1S/C12H10ClN5O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKeyVUQKCWOEARWBLF-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.17
Rot. Bonds3

About 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine

6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine (PubChem CID 5329518) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
PubChem CID5329518
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2cccc(Cl)c2)c2[nH]cnc2n1
InChIInChI=1S/C12H10ClN5O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKeyVUQKCWOEARWBLF-UHFFFAOYSA-N
XLogP2.17
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
CID 71462400
4-[(2-amino-7H-purin-6-yl)oxymethyl]benzaldehyde
CID 10107108
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
5-chloro-4-[(3-chlorophenyl)methoxy]-1H-pyrimidin-6-one
CID 114676466
2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
CID 86188206
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469
4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332823
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-5-oxopentanamide
CID 91133793

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine (CID 5329518) is 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine is Nc1nc(OCc2cccc(Cl)c2)c2[nH]cnc2n1.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine?
The InChIKey is VUQKCWOEARWBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18).
What are the key properties of 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine?
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine has a molecular weight of 275.70 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 5329518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).