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

C24H36N10 — CID 135731706

IUPAC3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine
SMILESCCCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21.CCCn1cn/c(=N\CC)c2[nH]cnc21
InChIInChI=1S/C14H21N5.C10H15N5/c1-3-5-8-19-9-16-13(15-4-2)11-14(19)18-12(17-11)10-6-7-10;1-3-5-15-7-14-9(11-4-2)8-10(15)13-6-12-8/h9-10H,3-8H2,1-2H3,(H,17,18);6-7H,3-5H2,1-2H3,(H,12,13)/b15-13-;11-9-
InChIKeyHFDNGKHCZFEXNM-ZCTHFWHPSA-N
MW464.62 g/mol
LogP3.45
Rot. Bonds8

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

3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine (PubChem CID 135731706) has the molecular formula C24H36N10 and a molecular weight of 464.62 g/mol. Its IUPAC name is 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine.

Molecular Properties

Compound Name3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine
PubChem CID135731706
Molecular FormulaC24H36N10
Molecular Weight464.62 g/mol
Exact Mass464.31
IUPAC Name3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine
SMILESCCCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21.CCCn1cn/c(=N\CC)c2[nH]cnc21
InChIInChI=1S/C14H21N5.C10H15N5/c1-3-5-8-19-9-16-13(15-4-2)11-14(19)18-12(17-11)10-6-7-10;1-3-5-15-7-14-9(11-4-2)8-10(15)13-6-12-8/h9-10H,3-8H2,1-2H3,(H,17,18);6-7H,3-5H2,1-2H3,(H,12,13)/b15-13-;11-9-
InChIKeyHFDNGKHCZFEXNM-ZCTHFWHPSA-N
XLogP3.45
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-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

3-Isopentylpurin-6-amine
CID 135435072
N'-(3-butyl-8-cyclopropyl-3-propylpurin-3-ium-6-yl)-N-ethyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 54477491
(3-butyl-8-cyclopropyl-3-propyl-9H-purin-3-ium-6-ylidene)-[2-(ethylamino)ethyl]-(7H-purin-6-yl)azanium
CID 123467450
8-Cyclopropyl-3-ethyl-6-ethylamino-3H-purine
CID 135418294
N-cyclopentyl-8-cyclopropyl-3-ethyl-7H-purin-6-imine
CID 135592799
3-(cyclopropylmethyl)-N-ethyl-8-propan-2-yl-7H-purin-6-imine
CID 135592810
N,8-dicyclopropyl-3-propyl-7H-purin-6-imine
CID 135592812
3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine
CID 135592813
8-Cyclopropyl-6-ethylamino-3-propyl-3h-purine hydrochloride
CID 135592821
8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine
CID 135592822
N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine;hydrochloride
CID 135592825
N-cyclopentyl-8-cyclopropyl-3-propyl-7H-purin-6-imine
CID 135592826

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine?
The IUPAC name of 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine (CID 135731706) is 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine.
What is the SMILES notation for 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine?
The canonical SMILES for 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine is CCCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21.CCCn1cn/c(=N\CC)c2[nH]cnc21.
What is the InChIKey of 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine?
The InChIKey is HFDNGKHCZFEXNM-ZCTHFWHPSA-N. The full InChI is InChI=1S/C14H21N5.C10H15N5/c1-3-5-8-19-9-16-13(15-4-2)11-14(19)18-12(17-11)10-6-7-10;1-3-5-15-7-14-9(11-4-2)8-10(15)13-6-12-8/h9-10H,3-8H2,1-2H3,(H,17,18);6-7H,3-5H2,1-2H3,(H,12,13)/b15-13-;11-9-.
What are the key properties of 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine?
3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine has a molecular weight of 464.62 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-cyclopropyl-N-ethyl-7H-purin-6-imine;N-ethyl-3-propyl-7H-purin-6-imine is sourced from PubChem (CID 135731706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).