2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine

C11H13Cl2N5 — CID 24904110

IUPAC2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
SMILESClc1nc(Cl)c2ncn(CCN3CCCC3)c2n1
InChIInChI=1S/C11H13Cl2N5/c12-9-8-10(16-11(13)15-9)18(7-14-8)6-5-17-3-1-2-4-17/h7H,1-6H2
InChIKeySFDFBZRJBGHHAD-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.23
Rot. Bonds3

About 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine

2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine (PubChem CID 24904110) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine.

Molecular Properties

Compound Name2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
PubChem CID24904110
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
SMILESClc1nc(Cl)c2ncn(CCN3CCCC3)c2n1
InChIInChI=1S/C11H13Cl2N5/c12-9-8-10(16-11(13)15-9)18(7-14-8)6-5-17-3-1-2-4-17/h7H,1-6H2
InChIKeySFDFBZRJBGHHAD-UHFFFAOYSA-N
XLogP2.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine?
The IUPAC name of 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine (CID 24904110) is 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine.
What is the SMILES notation for 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine?
The canonical SMILES for 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine is Clc1nc(Cl)c2ncn(CCN3CCCC3)c2n1.
What is the InChIKey of 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine?
The InChIKey is SFDFBZRJBGHHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c12-9-8-10(16-11(13)15-9)18(7-14-8)6-5-17-3-1-2-4-17/h7H,1-6H2.
What are the key properties of 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine?
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine has a molecular weight of 286.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine is sourced from PubChem (CID 24904110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).