3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C10H16N4O2 — CID 5182306

IUPAC3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O2/c1-12-3-5-14(6-4-12)8-7-9(15)13(2)10(16)11-8/h7H,3-6H2,1-2H3,(H,11,16)
InChIKeyLAFWJKOCXGHWLJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.17
Rot. Bonds1

About 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 5182306) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID5182306
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O2/c1-12-3-5-14(6-4-12)8-7-9(15)13(2)10(16)11-8/h7H,3-6H2,1-2H3,(H,11,16)
InChIKeyLAFWJKOCXGHWLJ-UHFFFAOYSA-N
XLogP-1.17
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 5182306) is 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is CN1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1.
What is the InChIKey of 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is LAFWJKOCXGHWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12-3-5-14(6-4-12)8-7-9(15)13(2)10(16)11-8/h7H,3-6H2,1-2H3,(H,11,16).
What are the key properties of 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5182306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).