6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine

C13H13ClN6 — CID 16736116

IUPAC6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1
InChIInChI=1S/C13H13ClN6/c1-7-3-8(2)9(16-4-7)5-20-6-17-10-11(14)18-13(15)19-12(10)20/h3-4,6H,5H2,1-2H3,(H2,15,18,19)
InChIKeyVMFMDUMCAGDUGD-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.12
Rot. Bonds2

About 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine

6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine (PubChem CID 16736116) has the molecular formula C13H13ClN6 and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
PubChem CID16736116
Molecular FormulaC13H13ClN6
Molecular Weight288.74 g/mol
Exact Mass288.09
IUPAC Name6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1
InChIInChI=1S/C13H13ClN6/c1-7-3-8(2)9(16-4-7)5-20-6-17-10-11(14)18-13(15)19-12(10)20/h3-4,6H,5H2,1-2H3,(H2,15,18,19)
InChIKeyVMFMDUMCAGDUGD-UHFFFAOYSA-N
XLogP2.12
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Arprinocid
CID 41574
Glu-P 2
CID 49970
Glu-P 1
CID 49971
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
9-(Phenylmethyl)-9H-purin-6-amine
CID 20262
1-Methyl-2-pyridin-4-YL-1H-benzoimidazole
CID 786430
2,4-Disubstituted Pyrimidine 4b
CID 5329431

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine (CID 16736116) is 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine is Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1.
What is the InChIKey of 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The InChIKey is VMFMDUMCAGDUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6/c1-7-3-8(2)9(16-4-7)5-20-6-17-10-11(14)18-13(15)19-12(10)20/h3-4,6H,5H2,1-2H3,(H2,15,18,19).
What are the key properties of 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine has a molecular weight of 288.74 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 16736116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).