5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one

C15H22N4O3 — CID 72878704

IUPAC5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C15H22N4O3/c1-4-5-6-12-15(22)18(3)7-8-19(12)14(21)11-9-16-10(2)17-13(11)20/h9,12H,4-8H2,1-3H3,(H,16,17,20)
InChIKeyDTFGFXKHZWDVCD-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.55
Rot. Bonds4

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

5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 72878704) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID72878704
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C15H22N4O3/c1-4-5-6-12-15(22)18(3)7-8-19(12)14(21)11-9-16-10(2)17-13(11)20/h9,12H,4-8H2,1-3H3,(H,16,17,20)
InChIKeyDTFGFXKHZWDVCD-UHFFFAOYSA-N
XLogP0.55
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (CID 72878704) is 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is CCCCC1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DTFGFXKHZWDVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-5-6-12-15(22)18(3)7-8-19(12)14(21)11-9-16-10(2)17-13(11)20/h9,12H,4-8H2,1-3H3,(H,16,17,20).
What are the key properties of 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 306.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 72878704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).