2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine

C11H14ClN5 — CID 104787123

IUPAC2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
SMILESCC1CCCCN1c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H14ClN5/c1-7-4-2-3-5-17(7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyZFQKEGFKIOZGTQ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.39
Rot. Bonds1

About 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine

2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine (PubChem CID 104787123) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
PubChem CID104787123
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
SMILESCC1CCCCN1c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H14ClN5/c1-7-4-2-3-5-17(7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyZFQKEGFKIOZGTQ-UHFFFAOYSA-N
XLogP2.39
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine?
The IUPAC name of 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine (CID 104787123) is 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine.
What is the SMILES notation for 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine?
The canonical SMILES for 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine is CC1CCCCN1c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine?
The InChIKey is ZFQKEGFKIOZGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-4-2-3-5-17(7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,2-5H2,1H3,(H,13,14,15,16).
What are the key properties of 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine?
2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine has a molecular weight of 251.72 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine is sourced from PubChem (CID 104787123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).