6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine

C12H10ClN5O — CID 15024478

IUPAC6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccc(Cl)cc2)c2[nH]cnc2n1
InChIInChI=1S/C12H10ClN5O/c13-8-3-1-7(2-4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKeyPQEFDHGUTNYNMO-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.17
Rot. Bonds3

About 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine

6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine (PubChem CID 15024478) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine
PubChem CID15024478
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccc(Cl)cc2)c2[nH]cnc2n1
InChIInChI=1S/C12H10ClN5O/c13-8-3-1-7(2-4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKeyPQEFDHGUTNYNMO-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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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine (CID 15024478) is 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine is Nc1nc(OCc2ccc(Cl)cc2)c2[nH]cnc2n1.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine?
The InChIKey is PQEFDHGUTNYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-8-3-1-7(2-4-8)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-[(4-chlorophenyl)methoxy]-7H-purin-2-amine?
6-[(4-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-[(4-chlorophenyl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 15024478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).