2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one

C15H17ClN6O2 — CID 24784386

IUPAC2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
SMILESCOc1c(C)cnc(Cn2c(=O)n(C)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O2/c1-7-5-18-9(8(2)11(7)24-4)6-22-13-10(21(3)15(22)23)12(16)19-14(17)20-13/h5H,6H2,1-4H3,(H2,17,19,20)
InChIKeyYWACVSDLOCQQAO-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one

2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one (PubChem CID 24784386) has the molecular formula C15H17ClN6O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one.

Molecular Properties

Compound Name2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
PubChem CID24784386
Molecular FormulaC15H17ClN6O2
Molecular Weight348.79 g/mol
Exact Mass348.11
IUPAC Name2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
SMILESCOc1c(C)cnc(Cn2c(=O)n(C)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O2/c1-7-5-18-9(8(2)11(7)24-4)6-22-13-10(21(3)15(22)23)12(16)19-14(17)20-13/h5H,6H2,1-4H3,(H2,17,19,20)
InChIKeyYWACVSDLOCQQAO-UHFFFAOYSA-N
XLogP1.43
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one?
The IUPAC name of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one (CID 24784386) is 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one.
What is the SMILES notation for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one?
The canonical SMILES for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one is COc1c(C)cnc(Cn2c(=O)n(C)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one?
The InChIKey is YWACVSDLOCQQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O2/c1-7-5-18-9(8(2)11(7)24-4)6-22-13-10(21(3)15(22)23)12(16)19-14(17)20-13/h5H,6H2,1-4H3,(H2,17,19,20).
What are the key properties of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one?
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one has a molecular weight of 348.79 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one is sourced from PubChem (CID 24784386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).