7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione

C18H30N6O2 — CID 70129820

IUPAC7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CCCCC3)C(N3CCNCC3)=NC2(C)N(C)C1=O
InChIInChI=1S/C18H30N6O2/c1-18-14(15(25)21(2)17(26)22(18)3)24(13-7-5-4-6-8-13)16(20-18)23-11-9-19-10-12-23/h13-14,19H,4-12H2,1-3H3
InChIKeyJRKJPQFXVADNDT-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.50
Rot. Bonds1

About 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione

7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione (PubChem CID 70129820) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione.

Molecular Properties

Compound Name7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
PubChem CID70129820
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CCCCC3)C(N3CCNCC3)=NC2(C)N(C)C1=O
InChIInChI=1S/C18H30N6O2/c1-18-14(15(25)21(2)17(26)22(18)3)24(13-7-5-4-6-8-13)16(20-18)23-11-9-19-10-12-23/h13-14,19H,4-12H2,1-3H3
InChIKeyJRKJPQFXVADNDT-UHFFFAOYSA-N
XLogP0.50
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione?
The IUPAC name of 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione (CID 70129820) is 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione.
What is the SMILES notation for 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione?
The canonical SMILES for 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione is CN1C(=O)C2N(C3CCCCC3)C(N3CCNCC3)=NC2(C)N(C)C1=O.
What is the InChIKey of 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione?
The InChIKey is JRKJPQFXVADNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-18-14(15(25)21(2)17(26)22(18)3)24(13-7-5-4-6-8-13)16(20-18)23-11-9-19-10-12-23/h13-14,19H,4-12H2,1-3H3.
What are the key properties of 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione?
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione has a molecular weight of 362.48 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione is sourced from PubChem (CID 70129820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).