2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine

C15H11ClN6O — CID 162661632

IUPAC2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine
SMILESNc1nc(Cl)nc2c1ncn2Cc1cccc(-c2ccco2)n1
InChIInChI=1S/C15H11ClN6O/c16-15-20-13(17)12-14(21-15)22(8-18-12)7-9-3-1-4-10(19-9)11-5-2-6-23-11/h1-6,8H,7H2,(H2,17,20,21)
InChIKeyAWNMESNEBXVLMN-UHFFFAOYSA-N
MW326.75 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine

2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine (PubChem CID 162661632) has the molecular formula C15H11ClN6O and a molecular weight of 326.75 g/mol. Its IUPAC name is 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine
PubChem CID162661632
Molecular FormulaC15H11ClN6O
Molecular Weight326.75 g/mol
Exact Mass326.07
IUPAC Name2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine
SMILESNc1nc(Cl)nc2c1ncn2Cc1cccc(-c2ccco2)n1
InChIInChI=1S/C15H11ClN6O/c16-15-20-13(17)12-14(21-15)22(8-18-12)7-9-3-1-4-10(19-9)11-5-2-6-23-11/h1-6,8H,7H2,(H2,17,20,21)
InChIKeyAWNMESNEBXVLMN-UHFFFAOYSA-N
XLogP2.77
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine?
The IUPAC name of 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine (CID 162661632) is 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine?
The canonical SMILES for 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine is Nc1nc(Cl)nc2c1ncn2Cc1cccc(-c2ccco2)n1.
What is the InChIKey of 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine?
The InChIKey is AWNMESNEBXVLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6O/c16-15-20-13(17)12-14(21-15)22(8-18-12)7-9-3-1-4-10(19-9)11-5-2-6-23-11/h1-6,8H,7H2,(H2,17,20,21).
What are the key properties of 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine?
2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine has a molecular weight of 326.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine is sourced from PubChem (CID 162661632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).