5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione

C10H16N4O2 — CID 15031088

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCN(Cc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O2/c1-13-2-4-14(5-3-13)7-8-6-11-10(16)12-9(8)15/h6H,2-5,7H2,1H3,(H2,11,12,15,16)
InChIKeyHOUFRRARTHEXLE-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.19
Rot. Bonds2

About 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione

5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 15031088) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID15031088
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCN(Cc2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O2/c1-13-2-4-14(5-3-13)7-8-6-11-10(16)12-9(8)15/h6H,2-5,7H2,1H3,(H2,11,12,15,16)
InChIKeyHOUFRRARTHEXLE-UHFFFAOYSA-N
XLogP-1.19
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 15031088) is 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is CN1CCN(Cc2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HOUFRRARTHEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-2-4-14(5-3-13)7-8-6-11-10(16)12-9(8)15/h6H,2-5,7H2,1H3,(H2,11,12,15,16).
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15031088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).