6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H22N4O2 — CID 63908860

IUPAC6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CNCC(C)N1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H22N4O2/c1-9-6-14-7-10(2)17(9)8-11-5-12(18)16(4)13(19)15(11)3/h5,9-10,14H,6-8H2,1-4H3
InChIKeyTUCZNNAAXLMATB-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.73
Rot. Bonds2

About 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 63908860) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID63908860
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CNCC(C)N1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H22N4O2/c1-9-6-14-7-10(2)17(9)8-11-5-12(18)16(4)13(19)15(11)3/h5,9-10,14H,6-8H2,1-4H3
InChIKeyTUCZNNAAXLMATB-UHFFFAOYSA-N
XLogP-0.73
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 63908860) is 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is CC1CNCC(C)N1Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is TUCZNNAAXLMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-6-14-7-10(2)17(9)8-11-5-12(18)16(4)13(19)15(11)3/h5,9-10,14H,6-8H2,1-4H3.
What are the key properties of 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 63908860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).