8-cyclopropyl-N,3-diethyl-7H-purin-6-imine

C12H17N5 — CID 135418294

IUPAC8-cyclopropyl-N,3-diethyl-7H-purin-6-imine
SMILESCC/N=c1\ncn(CC)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C12H17N5/c1-3-13-11-9-12(17(4-2)7-14-11)16-10(15-9)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,15,16)/b13-11-
InChIKeyCROMPXNBUAJXRV-QBFSEMIESA-N
MW231.30 g/mol
LogP1.58
Rot. Bonds3

About 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine

8-cyclopropyl-N,3-diethyl-7H-purin-6-imine (PubChem CID 135418294) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine.

Molecular Properties

Compound Name8-cyclopropyl-N,3-diethyl-7H-purin-6-imine
PubChem CID135418294
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name8-cyclopropyl-N,3-diethyl-7H-purin-6-imine
SMILESCC/N=c1\ncn(CC)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C12H17N5/c1-3-13-11-9-12(17(4-2)7-14-11)16-10(15-9)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,15,16)/b13-11-
InChIKeyCROMPXNBUAJXRV-QBFSEMIESA-N
XLogP1.58
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine?
The IUPAC name of 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine (CID 135418294) is 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine.
What is the SMILES notation for 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine?
The canonical SMILES for 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine is CC/N=c1\ncn(CC)c2nc(C3CC3)[nH]c12.
What is the InChIKey of 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine?
The InChIKey is CROMPXNBUAJXRV-QBFSEMIESA-N. The full InChI is InChI=1S/C12H17N5/c1-3-13-11-9-12(17(4-2)7-14-11)16-10(15-9)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,15,16)/b13-11-.
What are the key properties of 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine?
8-cyclopropyl-N,3-diethyl-7H-purin-6-imine has a molecular weight of 231.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N,3-diethyl-7H-purin-6-imine is sourced from PubChem (CID 135418294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).