1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione

C11H18N6O2 — CID 16637311

IUPAC1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione
SMILESCN1C(=O)C2NC(N3CCNCC3)=NC2N(C)C1=O
InChIInChI=1S/C11H18N6O2/c1-15-8-7(9(18)16(2)11(15)19)13-10(14-8)17-5-3-12-4-6-17/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySMEIQGHUCPOYCH-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.93
Rot. Bonds

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

1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione (PubChem CID 16637311) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione
PubChem CID16637311
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione
SMILESCN1C(=O)C2NC(N3CCNCC3)=NC2N(C)C1=O
InChIInChI=1S/C11H18N6O2/c1-15-8-7(9(18)16(2)11(15)19)13-10(14-8)17-5-3-12-4-6-17/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySMEIQGHUCPOYCH-UHFFFAOYSA-N
XLogP-1.93
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione (CID 16637311) is 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione is CN1C(=O)C2NC(N3CCNCC3)=NC2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione?
The InChIKey is SMEIQGHUCPOYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-15-8-7(9(18)16(2)11(15)19)13-10(14-8)17-5-3-12-4-6-17/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione?
1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione has a molecular weight of 266.30 g/mol, XLogP of -1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-piperazin-1-yl-5,7-dihydro-4H-purine-2,6-dione is sourced from PubChem (CID 16637311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).