1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione

C11H18N4O2 — CID 22421349

IUPAC1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione
SMILESCc1c(N2CCNCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H18N4O2/c1-8-9(15-6-4-12-5-7-15)10(16)14(3)11(17)13(8)2/h12H,4-7H2,1-3H3
InChIKeyYRRCUPQXLFMEEL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.20
Rot. Bonds1

About 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione

1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione (PubChem CID 22421349) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione
PubChem CID22421349
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione
SMILESCc1c(N2CCNCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H18N4O2/c1-8-9(15-6-4-12-5-7-15)10(16)14(3)11(17)13(8)2/h12H,4-7H2,1-3H3
InChIKeyYRRCUPQXLFMEEL-UHFFFAOYSA-N
XLogP-1.20
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione (CID 22421349) is 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione is Cc1c(N2CCNCC2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
The InChIKey is YRRCUPQXLFMEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-9(15-6-4-12-5-7-15)10(16)14(3)11(17)13(8)2/h12H,4-7H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione?
1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 22421349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).