8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine

C17H14N6O — CID 117094362

IUPAC8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
SMILESCOc1ccc(-c2nc3ncnc(Nc4ccccc4)c3[nH]2)cn1
InChIInChI=1S/C17H14N6O/c1-24-13-8-7-11(9-18-13)15-22-14-16(19-10-20-17(14)23-15)21-12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyHIRDVEWBFWSPCI-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.17
Rot. Bonds4

About 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine

8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine (PubChem CID 117094362) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
PubChem CID117094362
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
SMILESCOc1ccc(-c2nc3ncnc(Nc4ccccc4)c3[nH]2)cn1
InChIInChI=1S/C17H14N6O/c1-24-13-8-7-11(9-18-13)15-22-14-16(19-10-20-17(14)23-15)21-12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyHIRDVEWBFWSPCI-UHFFFAOYSA-N
XLogP3.17
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine?
The IUPAC name of 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine (CID 117094362) is 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine.
What is the SMILES notation for 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine?
The canonical SMILES for 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine is COc1ccc(-c2nc3ncnc(Nc4ccccc4)c3[nH]2)cn1.
What is the InChIKey of 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine?
The InChIKey is HIRDVEWBFWSPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-24-13-8-7-11(9-18-13)15-22-14-16(19-10-20-17(14)23-15)21-12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,23).
What are the key properties of 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine?
8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine has a molecular weight of 318.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine is sourced from PubChem (CID 117094362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).