1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride

C13H21ClN4O3 — CID 119564572

IUPAC1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCC1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC(C)N1.Cl
InChIInChI=1S/C13H20N4O3.ClH/c1-9-6-17(7-10(2)14-9)12(19)8-16-5-4-11(18)15(3)13(16)20;/h4-5,9-10,14H,6-8H2,1-3H3;1H
InChIKeyBONVOOWYHPQHNV-UHFFFAOYSA-N
MW316.79 g/mol
LogP-0.82
Rot. Bonds2

About 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride

1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 119564572) has the molecular formula C13H21ClN4O3 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID119564572
Molecular FormulaC13H21ClN4O3
Molecular Weight316.79 g/mol
Exact Mass316.13
IUPAC Name1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCC1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC(C)N1.Cl
InChIInChI=1S/C13H20N4O3.ClH/c1-9-6-17(7-10(2)14-9)12(19)8-16-5-4-11(18)15(3)13(16)20;/h4-5,9-10,14H,6-8H2,1-3H3;1H
InChIKeyBONVOOWYHPQHNV-UHFFFAOYSA-N
XLogP-0.82
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124590048
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 124591308
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 97024370
1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119647142
3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66062333
3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95779140
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119468653
1-[2-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124692158
3-methyl-1-[2-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95606427
3-methyl-1-[2-(3-methyl-2-propylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71870607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride (CID 119564572) is 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride is CC1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC(C)N1.Cl.
What is the InChIKey of 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is BONVOOWYHPQHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.ClH/c1-9-6-17(7-10(2)14-9)12(19)8-16-5-4-11(18)15(3)13(16)20;/h4-5,9-10,14H,6-8H2,1-3H3;1H.
What are the key properties of 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119564572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).