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

C13H19N5 — CID 135592822

IUPAC8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine
SMILESCCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C13H19N5/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)/b14-12-
InChIKeyACFGWLYZTGHPMT-OWBHPGMISA-N
MW245.33 g/mol
LogP1.97
Rot. Bonds4

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

8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine (PubChem CID 135592822) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine.

Molecular Properties

Compound Name8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine
PubChem CID135592822
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine
SMILESCCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C13H19N5/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)/b14-12-
InChIKeyACFGWLYZTGHPMT-OWBHPGMISA-N
XLogP1.97
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135435068
CID 135435068
CID 135435067
CID 135435067
CID 135398554
CID 135398554
CID 135435069
CID 135435069
CID 440553
CID 440553
CID 13908780
CID 13908780
CID 135435070
CID 135435070
CID 3923645
CID 3923645
CID 135435071
CID 135435071
CID 135435072
CID 135435072
CID 136609994
CID 136609994
CID 135818227
CID 135818227

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine?
The IUPAC name of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine (CID 135592822) is 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine.
What is the SMILES notation for 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine?
The canonical SMILES for 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine is CCCn1cn/c(=N\CC)c2[nH]c(C3CC3)nc21.
What is the InChIKey of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine?
The InChIKey is ACFGWLYZTGHPMT-OWBHPGMISA-N. The full InChI is InChI=1S/C13H19N5/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)/b14-12-.
What are the key properties of 8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine?
8-cyclopropyl-N-ethyl-3-propyl-7H-purin-6-imine has a molecular weight of 245.33 g/mol, XLogP of 1.97, 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 is sourced from PubChem (CID 135592822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).