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

C13H20ClN5 — CID 135592821

IUPAC8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride
SMILESCCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21.Cl
InChIInChI=1S/C13H19N5.ClH/c1-3-7-18-8-15-12(14-4-2)10-13(18)17-11(16-10)9-5-6-9;/h8-9H,3-7H2,1-2H3,(H,16,17);1H/b14-12-;
InChIKeyDUMFCCRZNJJVBO-CTMPBGLUSA-N
MW281.79 g/mol
LogP2.39
Rot. Bonds4

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

8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride (PubChem CID 135592821) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride.

Molecular Properties

Compound Name8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride
PubChem CID135592821
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride
SMILESCCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21.Cl
InChIInChI=1S/C13H19N5.ClH/c1-3-7-18-8-15-12(14-4-2)10-13(18)17-11(16-10)9-5-6-9;/h8-9H,3-7H2,1-2H3,(H,16,17);1H/b14-12-;
InChIKeyDUMFCCRZNJJVBO-CTMPBGLUSA-N
XLogP2.39
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Propyladenine
CID 135435068
3-Ethyladenine
CID 135435067
3-Butyladenine
CID 135435069
N3-Metyladenine
CID 440553
3H-Purin-6-amine, 3-pentyl-
CID 135435070
3-Hexylpurin-6-amine
CID 135435071
3-Isopentylpurin-6-amine
CID 135435072
3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride
CID 136609994
8-Dimethylamino-1-methyladenine
CID 135818227
2,4,5-Tris(dimethylaminomethyl)imidazole
CID 1497411
3-Ethyl-6-cyclopentylamino-8-cyclopropyl-3,7-dihydro-2h-purine-2-thione
CID 9926474
1-Ethyl-6,7-dihydropurin-6-amine
CID 57484886

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride?
The IUPAC name of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride (CID 135592821) is 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride.
What is the SMILES notation for 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride?
The canonical SMILES for 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride is CCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21.Cl.
What is the InChIKey of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride?
The InChIKey is DUMFCCRZNJJVBO-CTMPBGLUSA-N. The full InChI is InChI=1S/C13H19N5.ClH/c1-3-7-18-8-15-12(14-4-2)10-13(18)17-11(16-10)9-5-6-9;/h8-9H,3-7H2,1-2H3,(H,16,17);1H/b14-12-;.
What are the key properties of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride?
8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine;hydrochloride is sourced from PubChem (CID 135592821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).