5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione

C13H20N4O3 — CID 80643355

IUPAC5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC2CN(C)CCN2C)c1=O
InChIInChI=1S/C13H20N4O3/c1-9(18)11-6-14-13(20)17(12(11)19)8-10-7-15(2)4-5-16(10)3/h6,10H,4-5,7-8H2,1-3H3,(H,14,20)
InChIKeyYPUWFIHYPNQVJO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.01
Rot. Bonds3

About 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 80643355) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID80643355
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC2CN(C)CCN2C)c1=O
InChIInChI=1S/C13H20N4O3/c1-9(18)11-6-14-13(20)17(12(11)19)8-10-7-15(2)4-5-16(10)3/h6,10H,4-5,7-8H2,1-3H3,(H,14,20)
InChIKeyYPUWFIHYPNQVJO-UHFFFAOYSA-N
XLogP-1.01
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-hydroxy-1,3-dimethyl-7-(4-methylpiperazin-1-yl)-
CID 616532
5-(4-Methylpiperazinomethyl)uracil
CID 15031088
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
3-methyl-2,4-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide
CID 120811433
1-methyl-2,4-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-5-carboxamide
CID 120811585
5-acetyl-1-[3-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl]pyrimidine-2,4(1H,3H)-dione
CID 5079575
1,6-dimethyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrimido[1,2-a]pyrimidine-3-carboxamide
CID 20201644
5-Methyl-1-[2-(3-oxopiperazin-2-yl)ethyl]pyrimidine-2,4-dione
CID 69789402
5-acetyl-1-(4-methylpiperazino)-2,4(1H,3H)-pyrimidinedione
CID 1483601
5-acetyl-1-[4-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)butyl]pyrimidine-2,4(1H,3H)-dione
CID 3323412
5-Acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
CID 6987062
2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
CID 9450975

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione (CID 80643355) is 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CC2CN(C)CCN2C)c1=O.
What is the InChIKey of 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YPUWFIHYPNQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(18)11-6-14-13(20)17(12(11)19)8-10-7-15(2)4-5-16(10)3/h6,10H,4-5,7-8H2,1-3H3,(H,14,20).
What are the key properties of 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).