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

C15H17ClN6O — CID 16736530

IUPAC6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O/c1-4-23-12-8(2)5-18-10(9(12)3)6-22-7-19-11-13(16)20-15(17)21-14(11)22/h5,7H,4,6H2,1-3H3,(H2,17,20,21)
InChIKeyFJLJVVPUWXTQSB-UHFFFAOYSA-N
MW332.80 g/mol
LogP2.52
Rot. Bonds4

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

6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine (PubChem CID 16736530) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
PubChem CID16736530
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C15H17ClN6O/c1-4-23-12-8(2)5-18-10(9(12)3)6-22-7-19-11-13(16)20-15(17)21-14(11)22/h5,7H,4,6H2,1-3H3,(H2,17,20,21)
InChIKeyFJLJVVPUWXTQSB-UHFFFAOYSA-N
XLogP2.52
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine (CID 16736530) is 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine is CCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
The InChIKey is FJLJVVPUWXTQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c1-4-23-12-8(2)5-18-10(9(12)3)6-22-7-19-11-13(16)20-15(17)21-14(11)22/h5,7H,4,6H2,1-3H3,(H2,17,20,21).
What are the key properties of 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine has a molecular weight of 332.80 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(4-ethoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 16736530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).