N,8-dicyclopropyl-3-propyl-7H-purin-6-imine

C14H19N5 — CID 135592812

IUPACN,8-dicyclopropyl-3-propyl-7H-purin-6-imine
SMILESCCCn1cn/c(=N\C2CC2)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C14H19N5/c1-2-7-19-8-15-13(16-10-5-6-10)11-14(19)18-12(17-11)9-3-4-9/h8-10H,2-7H2,1H3,(H,17,18)/b16-13-
InChIKeyAPXRGAACSAUDAX-SSZFMOIBSA-N
MW257.34 g/mol
LogP2.11
Rot. Bonds4

About N,8-dicyclopropyl-3-propyl-7H-purin-6-imine

N,8-dicyclopropyl-3-propyl-7H-purin-6-imine (PubChem CID 135592812) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N,8-dicyclopropyl-3-propyl-7H-purin-6-imine.

Molecular Properties

Compound NameN,8-dicyclopropyl-3-propyl-7H-purin-6-imine
PubChem CID135592812
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN,8-dicyclopropyl-3-propyl-7H-purin-6-imine
SMILESCCCn1cn/c(=N\C2CC2)c2[nH]c(C3CC3)nc21
InChIInChI=1S/C14H19N5/c1-2-7-19-8-15-13(16-10-5-6-10)11-14(19)18-12(17-11)9-3-4-9/h8-10H,2-7H2,1H3,(H,17,18)/b16-13-
InChIKeyAPXRGAACSAUDAX-SSZFMOIBSA-N
XLogP2.11
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,8-dicyclopropyl-3-propyl-7H-purin-6-imine?
The IUPAC name of N,8-dicyclopropyl-3-propyl-7H-purin-6-imine (CID 135592812) is N,8-dicyclopropyl-3-propyl-7H-purin-6-imine.
What is the SMILES notation for N,8-dicyclopropyl-3-propyl-7H-purin-6-imine?
The canonical SMILES for N,8-dicyclopropyl-3-propyl-7H-purin-6-imine is CCCn1cn/c(=N\C2CC2)c2[nH]c(C3CC3)nc21.
What is the InChIKey of N,8-dicyclopropyl-3-propyl-7H-purin-6-imine?
The InChIKey is APXRGAACSAUDAX-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-7-19-8-15-13(16-10-5-6-10)11-14(19)18-12(17-11)9-3-4-9/h8-10H,2-7H2,1H3,(H,17,18)/b16-13-.
What are the key properties of N,8-dicyclopropyl-3-propyl-7H-purin-6-imine?
N,8-dicyclopropyl-3-propyl-7H-purin-6-imine has a molecular weight of 257.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dicyclopropyl-3-propyl-7H-purin-6-imine is sourced from PubChem (CID 135592812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).