6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione

C12H16N4O4 — CID 47143825

IUPAC6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H16N4O4/c1-7-8(11(19)15-12(20)14-7)2-3-10(18)16-5-4-13-9(17)6-16/h2-6H2,1H3,(H,13,17)(H2,14,15,19,20)
InChIKeyOOQCIMMIPASLDZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.74
Rot. Bonds3

About 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione (PubChem CID 47143825) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
PubChem CID47143825
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H16N4O4/c1-7-8(11(19)15-12(20)14-7)2-3-10(18)16-5-4-13-9(17)6-16/h2-6H2,1H3,(H,13,17)(H2,14,15,19,20)
InChIKeyOOQCIMMIPASLDZ-UHFFFAOYSA-N
XLogP-1.74
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione (CID 47143825) is 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OOQCIMMIPASLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-8(11(19)15-12(20)14-7)2-3-10(18)16-5-4-13-9(17)6-16/h2-6H2,1H3,(H,13,17)(H2,14,15,19,20).
What are the key properties of 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 280.28 g/mol, XLogP of -1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 47143825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).