N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride

C16H24ClN5 — CID 135592825

IUPACN-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride
SMILESCCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21.Cl
InChIInChI=1S/C16H23N5.ClH/c1-2-9-21-10-17-15(18-12-5-3-4-6-12)13-16(21)20-14(19-13)11-7-8-11;/h10-12H,2-9H2,1H3,(H,19,20);1H/b18-15-;
InChIKeyIMGWOLBTAKETSZ-MWIGPOFTSA-N
MW321.86 g/mol
LogP3.31
Rot. Bonds4

About N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride

N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride (PubChem CID 135592825) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride
PubChem CID135592825
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC NameN-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride
SMILESCCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21.Cl
InChIInChI=1S/C16H23N5.ClH/c1-2-9-21-10-17-15(18-12-5-3-4-6-12)13-16(21)20-14(19-13)11-7-8-11;/h10-12H,2-9H2,1H3,(H,19,20);1H/b18-15-;
InChIKeyIMGWOLBTAKETSZ-MWIGPOFTSA-N
XLogP3.31
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 53.31
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-propyl-7H-purin-6-imine;hydrochloride?
The IUPAC name of N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride (CID 135592825) is N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride.
What is the SMILES notation for N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride?
The canonical SMILES for N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride is CCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21.Cl.
What is the InChIKey of N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride?
The InChIKey is IMGWOLBTAKETSZ-MWIGPOFTSA-N. The full InChI is InChI=1S/C16H23N5.ClH/c1-2-9-21-10-17-15(18-12-5-3-4-6-12)13-16(21)20-14(19-13)11-7-8-11;/h10-12H,2-9H2,1H3,(H,19,20);1H/b18-15-;.
What are the key properties of N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride?
N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 3.31, 4 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-propyl-7H-purin-6-imine;hydrochloride is sourced from PubChem (CID 135592825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).