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

C14H15ClN6O — CID 16735061

IUPAC6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine
SMILESCOc1c(C)ncc(Cn2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C14H15ClN6O/c1-7-9(4-17-8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyJDPCJGZBFZJXTQ-UHFFFAOYSA-N
MW318.77 g/mol
LogP2.13
Rot. Bonds3

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

6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine (PubChem CID 16735061) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine
PubChem CID16735061
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine
SMILESCOc1c(C)ncc(Cn2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C14H15ClN6O/c1-7-9(4-17-8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyJDPCJGZBFZJXTQ-UHFFFAOYSA-N
XLogP2.13
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-yl)amine
CID 16736529
5-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methylpent-4-yn-2-ol
CID 11517212
2-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium
CID 16736528
6-chloro-9-[(6-chloro-4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736531
4-Chloranyl-7-[(4-Methoxy-3,5-Dimethyl-Pyridin-2-Yl)methyl]-5-(Phenylmethyl)pyrrolo[2,3-D]pyrimidin-2-Amine
CID 131704417
3-[2-amino-4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-7H-pyrrolo [2,3-d]pyrimidin-5-yl]-prop-2-yn-1-ol
CID 11950337
4-Chloro-5-ethynyl-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 71463004
6-chloro-9-[(4-ethoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736530
6-chloro-9-{[3,5-dimethyl-4-(propan-2-yloxy)pyridin-2-yl]methyl}-9H-purin-2-amine
CID 16737556
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
4-Chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 11415875
4-[2-Amino-4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-but-3-yn-1-ol
CID 11950510

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine (CID 16735061) is 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine is COc1c(C)ncc(Cn2cnc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine?
The InChIKey is JDPCJGZBFZJXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-7-9(4-17-8(2)11(7)22-3)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-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine has a molecular weight of 318.77 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 16735061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).