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

C14H15ClN6O2 — CID 24783092

IUPAC2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one
SMILESCOc1c(C)cnc(Cn2c(=O)[nH]c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C14H15ClN6O2/c1-6-4-17-8(7(2)10(6)23-3)5-21-12-9(18-14(21)22)11(15)19-13(16)20-12/h4H,5H2,1-3H3,(H,18,22)(H2,16,19,20)
InChIKeyDFSIZXZUYZJXGY-UHFFFAOYSA-N
MW334.77 g/mol
LogP1.42
Rot. Bonds3

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

2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one (PubChem CID 24783092) has the molecular formula C14H15ClN6O2 and a molecular weight of 334.77 g/mol. Its IUPAC name is 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one.

Molecular Properties

Compound Name2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one
PubChem CID24783092
Molecular FormulaC14H15ClN6O2
Molecular Weight334.77 g/mol
Exact Mass334.09
IUPAC Name2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one
SMILESCOc1c(C)cnc(Cn2c(=O)[nH]c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C14H15ClN6O2/c1-6-4-17-8(7(2)10(6)23-3)5-21-12-9(18-14(21)22)11(15)19-13(16)20-12/h4H,5H2,1-3H3,(H,18,22)(H2,16,19,20)
InChIKeyDFSIZXZUYZJXGY-UHFFFAOYSA-N
XLogP1.42
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-7H-purin-8-one?
The IUPAC name of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one (CID 24783092) is 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one.
What is the SMILES notation for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one?
The canonical SMILES for 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one is COc1c(C)cnc(Cn2c(=O)[nH]c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one?
The InChIKey is DFSIZXZUYZJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O2/c1-6-4-17-8(7(2)10(6)23-3)5-21-12-9(18-14(21)22)11(15)19-13(16)20-12/h4H,5H2,1-3H3,(H,18,22)(H2,16,19,20).
What are the key properties of 2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one?
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-purin-8-one has a molecular weight of 334.77 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-7H-purin-8-one is sourced from PubChem (CID 24783092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).