5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

C12H18N4O3 — CID 52903623

IUPAC5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)N1CCN(Cc2c(C)[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H18N4O3/c1-8-10(11(18)14-12(19)13-8)7-15-3-5-16(6-4-15)9(2)17/h3-7H2,1-2H3,(H2,13,14,18,19)
InChIKeyKLEOZEZVMSBUEX-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.96
Rot. Bonds2

About 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 52903623) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID52903623
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)N1CCN(Cc2c(C)[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H18N4O3/c1-8-10(11(18)14-12(19)13-8)7-15-3-5-16(6-4-15)9(2)17/h3-7H2,1-2H3,(H2,13,14,18,19)
InChIKeyKLEOZEZVMSBUEX-UHFFFAOYSA-N
XLogP-0.96
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 52903623) is 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is CC(=O)N1CCN(Cc2c(C)[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KLEOZEZVMSBUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-10(11(18)14-12(19)13-8)7-15-3-5-16(6-4-15)9(2)17/h3-7H2,1-2H3,(H2,13,14,18,19).
What are the key properties of 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylpiperazin-1-yl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 52903623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).