N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine

C15H23N5 — CID 135592859

IUPACN-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine
SMILESCCCC/N=c1\ncn(CCC)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C15H23N5/c1-3-5-8-16-14-12-15(20(9-4-2)10-17-14)19-13(18-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)/b16-14-
InChIKeyFHPSNNZUJCWNAO-PEZBUJJGSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds6

About N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine

N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine (PubChem CID 135592859) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine.

Molecular Properties

Compound NameN-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine
PubChem CID135592859
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine
SMILESCCCC/N=c1\ncn(CCC)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C15H23N5/c1-3-5-8-16-14-12-15(20(9-4-2)10-17-14)19-13(18-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)/b16-14-
InChIKeyFHPSNNZUJCWNAO-PEZBUJJGSA-N
XLogP2.75
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
The IUPAC name of N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine (CID 135592859) is N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine.
What is the SMILES notation for N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
The canonical SMILES for N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine is CCCC/N=c1\ncn(CCC)c2nc(C3CC3)[nH]c12.
What is the InChIKey of N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
The InChIKey is FHPSNNZUJCWNAO-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-5-8-16-14-12-15(20(9-4-2)10-17-14)19-13(18-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)/b16-14-.
What are the key properties of N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine has a molecular weight of 273.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-cyclopropyl-3-propyl-7H-purin-6-imine is sourced from PubChem (CID 135592859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).