9-[(4-methyl-2-pyridinyl)methyl]purine

C12H11N5 — CID 171791566

IUPAC9-[(4-methyl-2-pyridinyl)methyl]purine
SMILESCc1ccnc(Cn2cnc3cncnc32)c1
InChIInChI=1S/C12H11N5/c1-9-2-3-14-10(4-9)6-17-8-16-11-5-13-7-15-12(11)17/h2-5,7-8H,6H2,1H3
InChIKeyAJIFURLNCJRLJQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.58
Rot. Bonds2

About 9-[(4-methyl-2-pyridinyl)methyl]purine

9-[(4-methyl-2-pyridinyl)methyl]purine (PubChem CID 171791566) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 9-[(4-methyl-2-pyridinyl)methyl]purine.

Molecular Properties

Compound Name9-[(4-methyl-2-pyridinyl)methyl]purine
PubChem CID171791566
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name9-[(4-methyl-2-pyridinyl)methyl]purine
SMILESCc1ccnc(Cn2cnc3cncnc32)c1
InChIInChI=1S/C12H11N5/c1-9-2-3-14-10(4-9)6-17-8-16-11-5-13-7-15-12(11)17/h2-5,7-8H,6H2,1H3
InChIKeyAJIFURLNCJRLJQ-UHFFFAOYSA-N
XLogP1.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-6-(purin-9-ylmethyl)-1,3-benzothiazole
CID 89498289
2-purin-9-ylethanamine
CID 86106662
9-(3-methylbutyl)purine
CID 20771994
9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]purine
CID 175790997
9-(3-chloropropyl)purine
CID 22715671
9-(3,5-dimethylphenyl)purine
CID 20740846
2-(cyclopropylmethyl)-9-[(4-methyl-2-pyridinyl)methyl]purin-6-amine
CID 178028928
9-methoxypurine
CID 56998918
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
(3-methylphenyl)-purin-9-ylmethanimine
CID 175967397
9-bromopurine
CID 91356605
(4-methyl-2-pyridinyl)methanol;hydrobromide
CID 133055836

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methyl-2-pyridinyl)methyl]purine?
The IUPAC name of 9-[(4-methyl-2-pyridinyl)methyl]purine (CID 171791566) is 9-[(4-methyl-2-pyridinyl)methyl]purine.
What is the SMILES notation for 9-[(4-methyl-2-pyridinyl)methyl]purine?
The canonical SMILES for 9-[(4-methyl-2-pyridinyl)methyl]purine is Cc1ccnc(Cn2cnc3cncnc32)c1.
What is the InChIKey of 9-[(4-methyl-2-pyridinyl)methyl]purine?
The InChIKey is AJIFURLNCJRLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-9-2-3-14-10(4-9)6-17-8-16-11-5-13-7-15-12(11)17/h2-5,7-8H,6H2,1H3.
What are the key properties of 9-[(4-methyl-2-pyridinyl)methyl]purine?
9-[(4-methyl-2-pyridinyl)methyl]purine has a molecular weight of 225.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methyl-2-pyridinyl)methyl]purine is sourced from PubChem (CID 171791566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).