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

C14H16Cl2N6O — CID 45263523

IUPAC6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride
SMILESCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C.Cl
InChIInChI=1S/C14H15ClN6O.ClH/c1-7-4-17-9(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);1H
InChIKeyMSFMHSUTLMLTNF-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.55
Rot. Bonds3

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

6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride (PubChem CID 45263523) has the molecular formula C14H16Cl2N6O and a molecular weight of 355.23 g/mol. Its IUPAC name is 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride
PubChem CID45263523
Molecular FormulaC14H16Cl2N6O
Molecular Weight355.23 g/mol
Exact Mass354.08
IUPAC Name6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride
SMILESCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C.Cl
InChIInChI=1S/C14H15ClN6O.ClH/c1-7-4-17-9(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);1H
InChIKeyMSFMHSUTLMLTNF-UHFFFAOYSA-N
XLogP2.55
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.55
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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride?
The IUPAC name of 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride (CID 45263523) is 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride.
What is the SMILES notation for 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride?
The canonical SMILES for 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride is COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C.Cl.
What is the InChIKey of 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride?
The InChIKey is MSFMHSUTLMLTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O.ClH/c1-7-4-17-9(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);1H.
What are the key properties of 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride?
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride has a molecular weight of 355.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;hydrochloride is sourced from PubChem (CID 45263523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).