N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine

C15H21N5 — CID 135592799

IUPACN-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine
SMILESCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C15H21N5/c1-2-20-9-16-14(17-11-5-3-4-6-11)12-15(20)19-13(18-12)10-7-8-10/h9-11H,2-8H2,1H3,(H,18,19)/b17-14-
InChIKeyRZMMQBDRVNIUCI-VKAVYKQESA-N
MW271.37 g/mol
LogP2.50
Rot. Bonds3

About N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine

N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine (PubChem CID 135592799) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine.

Molecular Properties

Compound NameN-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine
PubChem CID135592799
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine
SMILESCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C15H21N5/c1-2-20-9-16-14(17-11-5-3-4-6-11)12-15(20)19-13(18-12)10-7-8-10/h9-11H,2-8H2,1H3,(H,18,19)/b17-14-
InChIKeyRZMMQBDRVNIUCI-VKAVYKQESA-N
XLogP2.50
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine?
The IUPAC name of N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine (CID 135592799) is N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine.
What is the SMILES notation for N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine?
The canonical SMILES for N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine is CCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21.
What is the InChIKey of N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine?
The InChIKey is RZMMQBDRVNIUCI-VKAVYKQESA-N. The full InChI is InChI=1S/C15H21N5/c1-2-20-9-16-14(17-11-5-3-4-6-11)12-15(20)19-13(18-12)10-7-8-10/h9-11H,2-8H2,1H3,(H,18,19)/b17-14-.
What are the key properties of N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine?
N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine has a molecular weight of 271.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine is sourced from PubChem (CID 135592799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).