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

C15H22N4O4 — CID 70715705

IUPAC5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O4/c1-3-4-5-11-14(22)18(2)6-7-19(11)12(20)8-10-9-16-15(23)17-13(10)21/h9,11H,3-8H2,1-2H3,(H2,16,17,21,23)
InChIKeyMIBAIDOOTOEIAJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.53
Rot. Bonds5

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

5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70715705) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70715705
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O4/c1-3-4-5-11-14(22)18(2)6-7-19(11)12(20)8-10-9-16-15(23)17-13(10)21/h9,11H,3-8H2,1-2H3,(H2,16,17,21,23)
InChIKeyMIBAIDOOTOEIAJ-UHFFFAOYSA-N
XLogP-0.53
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70715705) is 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is CCCCC1C(=O)N(C)CCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MIBAIDOOTOEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-3-4-5-11-14(22)18(2)6-7-19(11)12(20)8-10-9-16-15(23)17-13(10)21/h9,11H,3-8H2,1-2H3,(H2,16,17,21,23).
What are the key properties of 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 322.37 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70715705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).