6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine

C13H12Cl2N6 — CID 16736765

IUPAC6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C13H12Cl2N6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)
InChIKeyOXNSUSAAFJARBW-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.78
Rot. Bonds2

About 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine

6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine (PubChem CID 16736765) has the molecular formula C13H12Cl2N6 and a molecular weight of 323.19 g/mol. Its IUPAC name is 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
PubChem CID16736765
Molecular FormulaC13H12Cl2N6
Molecular Weight323.19 g/mol
Exact Mass322.05
IUPAC Name6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C13H12Cl2N6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)
InChIKeyOXNSUSAAFJARBW-UHFFFAOYSA-N
XLogP2.78
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Glu-P 1
CID 49971
Arprinocid
CID 41574
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
6-chloro-9-[(4-iodo-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 11407335
6-chloro-9-{[3,5-dimethyl-4-(methylsulfanyl)pyridin-2-yl]methyl}-9H-purin-2-amine
CID 16735916
6-chloro-9-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-9H-purin-2-amine
CID 16735920
9-[(4-bromo-3,5-dimethylpyridin-2-yl)methyl]-6-chloro-9H-purin-2-amine
CID 16736532

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine (CID 16736765) is 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine is Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1Cl.
What is the InChIKey of 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The InChIKey is OXNSUSAAFJARBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20).
What are the key properties of 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine has a molecular weight of 323.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 16736765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).