2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine

C12H11ClN6O — CID 162651481

IUPAC2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine
SMILESCOc1ccnc(Cn2cnc3c(N)nc(Cl)nc32)c1
InChIInChI=1S/C12H11ClN6O/c1-20-8-2-3-15-7(4-8)5-19-6-16-9-10(14)17-12(13)18-11(9)19/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyJDWDPJBXOVOYKJ-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.51
Rot. Bonds3

About 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine

2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine (PubChem CID 162651481) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine
PubChem CID162651481
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine
SMILESCOc1ccnc(Cn2cnc3c(N)nc(Cl)nc32)c1
InChIInChI=1S/C12H11ClN6O/c1-20-8-2-3-15-7(4-8)5-19-6-16-9-10(14)17-12(13)18-11(9)19/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyJDWDPJBXOVOYKJ-UHFFFAOYSA-N
XLogP1.51
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine (CID 162651481) is 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine is COc1ccnc(Cn2cnc3c(N)nc(Cl)nc32)c1.
What is the InChIKey of 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine?
The InChIKey is JDWDPJBXOVOYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c1-20-8-2-3-15-7(4-8)5-19-6-16-9-10(14)17-12(13)18-11(9)19/h2-4,6H,5H2,1H3,(H2,14,17,18).
What are the key properties of 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine?
2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine has a molecular weight of 290.71 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-[(4-methoxy-2-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 162651481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).