5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one

C12H16N4O3 — CID 110850431

IUPAC5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C12H16N4O3/c1-8-13-7-10(11(18)14-8)12(19)16-5-3-15(4-6-16)9(2)17/h7H,3-6H2,1-2H3,(H,13,14,18)
InChIKeyTUGSMVKFTSUQHB-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.62
Rot. Bonds1

About 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one

5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 110850431) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID110850431
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C12H16N4O3/c1-8-13-7-10(11(18)14-8)12(19)16-5-3-15(4-6-16)9(2)17/h7H,3-6H2,1-2H3,(H,13,14,18)
InChIKeyTUGSMVKFTSUQHB-UHFFFAOYSA-N
XLogP-0.62
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-5-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyrimidin-4-ol
CID 70766587
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 48164668
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-Bromo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66308580
5-Iodo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66340706
2-tert-butyl-5-[4-(3-methoxypropyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 70733974
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (CID 110850431) is 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is CC(=O)N1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is TUGSMVKFTSUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-13-7-10(11(18)14-8)12(19)16-5-3-15(4-6-16)9(2)17/h7H,3-6H2,1-2H3,(H,13,14,18).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 264.28 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 110850431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).