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

C12H11ClN6 — CID 162676318

IUPAC2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine
SMILESCc1cccc(Cn2cnc3c(N)nc(Cl)nc32)n1
InChIInChI=1S/C12H11ClN6/c1-7-3-2-4-8(16-7)5-19-6-15-9-10(14)17-12(13)18-11(9)19/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyZVJBGQIPCHSJJT-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.81
Rot. Bonds2

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

2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine (PubChem CID 162676318) has the molecular formula C12H11ClN6 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine
PubChem CID162676318
Molecular FormulaC12H11ClN6
Molecular Weight274.72 g/mol
Exact Mass274.07
IUPAC Name2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine
SMILESCc1cccc(Cn2cnc3c(N)nc(Cl)nc32)n1
InChIInChI=1S/C12H11ClN6/c1-7-3-2-4-8(16-7)5-19-6-15-9-10(14)17-12(13)18-11(9)19/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyZVJBGQIPCHSJJT-UHFFFAOYSA-N
XLogP1.81
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(aminomethyl)-2-chloropurin-6-amine
CID 156571755
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508
4-(6-amino-2-chloropurin-9-yl)-2-ethylbutan-1-ol;ethane
CID 145388425
2-chloro-9-pentan-3-ylpurin-6-amine
CID 170238061
2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
CID 155323723
9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692
9-benzyl-2-(4-methylphenyl)sulfanylpurin-6-amine
CID 18332690
9-benzyl-2-N-butan-2-ylpurine-2,6-diamine
CID 18332812
9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine
CID 129244073
1-[(6-methyl-2-pyridinyl)methyl]indol-4-amine
CID 79268054
6,9-dibenzyl-2-chloropurine
CID 11759453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine (CID 162676318) is 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine is Cc1cccc(Cn2cnc3c(N)nc(Cl)nc32)n1.
What is the InChIKey of 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine?
The InChIKey is ZVJBGQIPCHSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c1-7-3-2-4-8(16-7)5-19-6-15-9-10(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-[(6-methyl-2-pyridinyl)methyl]purin-6-amine?
2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine has a molecular weight of 274.72 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 162676318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).