6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

C10H14N4O3 — CID 55104387

IUPAC6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CNCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c1-6-5-11-2-3-14(6)9(16)7-4-8(15)13-10(17)12-7/h4,6,11H,2-3,5H2,1H3,(H2,12,13,15,17)
InChIKeyCOZLWURMJOZFJS-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.50
Rot. Bonds1

About 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 55104387) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID55104387
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CNCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c1-6-5-11-2-3-14(6)9(16)7-4-8(15)13-10(17)12-7/h4,6,11H,2-3,5H2,1H3,(H2,12,13,15,17)
InChIKeyCOZLWURMJOZFJS-UHFFFAOYSA-N
XLogP-1.50
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 82755240
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile
CID 79086252
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 119473561
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(5-tert-butyl-1H-pyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473002
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 55104387) is 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is CC1CNCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is COZLWURMJOZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6-5-11-2-3-14(6)9(16)7-4-8(15)13-10(17)12-7/h4,6,11H,2-3,5H2,1H3,(H2,12,13,15,17).
What are the key properties of 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 55104387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).