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

C15H15Cl2N5O3 — CID 11176568

IUPAC6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine
SMILESCOc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(Cl)c(OC)c1OC
InChIInChI=1S/C15H15Cl2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)
InChIKeyVODRTTCWUTYLDQ-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.79
Rot. Bonds5

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

6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine (PubChem CID 11176568) has the molecular formula C15H15Cl2N5O3 and a molecular weight of 384.22 g/mol. Its IUPAC name is 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine
PubChem CID11176568
Molecular FormulaC15H15Cl2N5O3
Molecular Weight384.22 g/mol
Exact Mass383.06
IUPAC Name6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine
SMILESCOc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(Cl)c(OC)c1OC
InChIInChI=1S/C15H15Cl2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)
InChIKeyVODRTTCWUTYLDQ-UHFFFAOYSA-N
XLogP2.79
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine (CID 11176568) is 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine is COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(Cl)c(OC)c1OC.
What is the InChIKey of 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
The InChIKey is VODRTTCWUTYLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21).
What are the key properties of 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine has a molecular weight of 384.22 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine is sourced from PubChem (CID 11176568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).