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

C16H23N5 — CID 135592826

IUPACN-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine
SMILESCCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C16H23N5/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)/b18-15-
InChIKeyKFGIFOMKJJUCDY-SDXDJHTJSA-N
MW285.39 g/mol
LogP2.89
Rot. Bonds4

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

N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine (PubChem CID 135592826) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine.

Molecular Properties

Compound NameN-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine
PubChem CID135592826
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine
SMILESCCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C16H23N5/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)/b18-15-
InChIKeyKFGIFOMKJJUCDY-SDXDJHTJSA-N
XLogP2.89
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135435071
CID 135435071
CID 9926474
CID 9926474
CID 9837379
CID 9837379
CID 12050168
CID 12050168
CID 12050169
CID 12050169
CID 15541455
CID 15541455
CID 15544708
CID 15544708
CID 18473515
CID 18473515
CID 18473533
CID 18473533
CID 18473541
CID 18473541
CID 20713596
CID 20713596
CID 54042198
CID 54042198

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
The IUPAC name of N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine (CID 135592826) is N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine.
What is the SMILES notation for N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
The canonical SMILES for N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine is CCCn1cn/c(=N\C2CCCC2)c2[nH]c(C3CC3)nc21.
What is the InChIKey of N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
The InChIKey is KFGIFOMKJJUCDY-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H23N5/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)/b18-15-.
What are the key properties of N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine?
N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine has a molecular weight of 285.39 g/mol, XLogP of 2.89, 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 is sourced from PubChem (CID 135592826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).