N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide

C15H11ClFN5O — CID 67383579

IUPACN-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2nc(-c3c(F)cccc3Cl)[nH]c12)C1CC1
InChIInChI=1S/C15H11ClFN5O/c16-8-2-1-3-9(17)10(8)12-20-11-13(21-12)18-6-19-14(11)22-15(23)7-4-5-7/h1-3,6-7H,4-5H2,(H2,18,19,20,21,22,23)
InChIKeyGZTUOKVOHVGLPD-UHFFFAOYSA-N
MW331.74 g/mol
LogP3.16
Rot. Bonds3

About N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide

N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide (PubChem CID 67383579) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide
PubChem CID67383579
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC NameN-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2nc(-c3c(F)cccc3Cl)[nH]c12)C1CC1
InChIInChI=1S/C15H11ClFN5O/c16-8-2-1-3-9(17)10(8)12-20-11-13(21-12)18-6-19-14(11)22-15(23)7-4-5-7/h1-3,6-7H,4-5H2,(H2,18,19,20,21,22,23)
InChIKeyGZTUOKVOHVGLPD-UHFFFAOYSA-N
XLogP3.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide (CID 67383579) is N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide is O=C(Nc1ncnc2nc(-c3c(F)cccc3Cl)[nH]c12)C1CC1.
What is the InChIKey of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide?
The InChIKey is GZTUOKVOHVGLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c16-8-2-1-3-9(17)10(8)12-20-11-13(21-12)18-6-19-14(11)22-15(23)7-4-5-7/h1-3,6-7H,4-5H2,(H2,18,19,20,21,22,23).
What are the key properties of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide?
N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide has a molecular weight of 331.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67383579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).