1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione

C10H16N4O2 — CID 12816873

IUPAC1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione
SMILESCn1c(N2CCNCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O2/c1-12-8(14-5-3-11-4-6-14)7-9(15)13(2)10(12)16/h7,11H,3-6H2,1-2H3
InChIKeyXQQQZORCKOPSMV-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.51
Rot. Bonds1

About 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione

1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione (PubChem CID 12816873) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione
PubChem CID12816873
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione
SMILESCn1c(N2CCNCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O2/c1-12-8(14-5-3-11-4-6-14)7-9(15)13(2)10(12)16/h7,11H,3-6H2,1-2H3
InChIKeyXQQQZORCKOPSMV-UHFFFAOYSA-N
XLogP-1.51
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione (CID 12816873) is 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione is Cn1c(N2CCNCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione?
The InChIKey is XQQQZORCKOPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12-8(14-5-3-11-4-6-14)7-9(15)13(2)10(12)16/h7,11H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione?
1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-piperazin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 12816873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).