3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C16H24N4O4 — CID 70786900

IUPAC3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C(C)C1=O
InChIInChI=1S/C16H24N4O4/c1-10(2)9-19-5-6-20(11(3)14(19)22)13(21)7-12-8-17-16(24)18(4)15(12)23/h8,10-11H,5-7,9H2,1-4H3,(H,17,24)
InChIKeyMNEPDUCSCQDLRD-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.67
Rot. Bonds4

About 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70786900) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70786900
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C(C)C1=O
InChIInChI=1S/C16H24N4O4/c1-10(2)9-19-5-6-20(11(3)14(19)22)13(21)7-12-8-17-16(24)18(4)15(12)23/h8,10-11H,5-7,9H2,1-4H3,(H,17,24)
InChIKeyMNEPDUCSCQDLRD-UHFFFAOYSA-N
XLogP-0.67
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-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 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70786900) is 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC(C)CN1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C(C)C1=O.
What is the InChIKey of 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MNEPDUCSCQDLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10(2)9-19-5-6-20(11(3)14(19)22)13(21)7-12-8-17-16(24)18(4)15(12)23/h8,10-11H,5-7,9H2,1-4H3,(H,17,24).
What are the key properties of 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70786900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).