5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one

C14H20N4O3 — CID 70746516

IUPAC5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)C(C)C1=O
InChIInChI=1S/C14H20N4O3/c1-9(2)7-17-4-5-18(10(3)13(17)20)14(21)11-6-15-8-16-12(11)19/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,19)
InChIKeyRXJSGJTUUXCUTD-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.10
Rot. Bonds3

About 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one

5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 70746516) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID70746516
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)C(C)C1=O
InChIInChI=1S/C14H20N4O3/c1-9(2)7-17-4-5-18(10(3)13(17)20)14(21)11-6-15-8-16-12(11)19/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,19)
InChIKeyRXJSGJTUUXCUTD-UHFFFAOYSA-N
XLogP0.10
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 24719393
N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 42843940
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509423
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676
3-Methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
CID 83883911
3-Methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
CID 83890531

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 70746516) is 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one is CC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)C(C)C1=O.
What is the InChIKey of 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is RXJSGJTUUXCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)7-17-4-5-18(10(3)13(17)20)14(21)11-6-15-8-16-12(11)19/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,19).
What are the key properties of 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one?
5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 292.34 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70746516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).