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

C14H15ClN6OS — CID 16735922

IUPAC6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1S(C)=O
InChIInChI=1S/C14H15ClN6OS/c1-7-4-17-9(8(2)11(7)23(3)22)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyRYSJCXRKXGOBKQ-UHFFFAOYSA-N
MW350.84 g/mol
LogP1.86
Rot. Bonds3

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

6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine (PubChem CID 16735922) has the molecular formula C14H15ClN6OS and a molecular weight of 350.84 g/mol. Its IUPAC name is 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine
PubChem CID16735922
Molecular FormulaC14H15ClN6OS
Molecular Weight350.84 g/mol
Exact Mass350.07
IUPAC Name6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1S(C)=O
InChIInChI=1S/C14H15ClN6OS/c1-7-4-17-9(8(2)11(7)23(3)22)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyRYSJCXRKXGOBKQ-UHFFFAOYSA-N
XLogP1.86
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine
CID 16736767
6-chloro-9-[(3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736116
9-[(4-amino-3,5-dimethylpyridin-2-yl)methyl]-6-chloro-9H-purin-2-amine
CID 16736766
2-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-3,5-dimethylpyridine-4-carbonitrile
CID 16735921
US10308667, Example 30
CID 134229610
9-((2-chloropyridin-4-yl)methyl)-9H-purin-6-amine
CID 62469538
4,5-Dimethyl-8-methylsulfanyl-2,4,6,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),2,5,7,9,11-hexaen-10-amine
CID 102480762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine (CID 16735922) is 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine is Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1S(C)=O.
What is the InChIKey of 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine?
The InChIKey is RYSJCXRKXGOBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6OS/c1-7-4-17-9(8(2)11(7)23(3)22)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20).
What are the key properties of 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine has a molecular weight of 350.84 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(3,5-dimethyl-4-methylsulfinyl-2-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 16735922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).