4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride

C15H23ClN6O — CID 137096156

IUPAC4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride
SMILESCCc1cc(=O)[nH]c(CN2CCNCC2c2nccn2C)n1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-3-11-8-14(22)19-13(18-11)10-21-7-4-16-9-12(21)15-17-5-6-20(15)2;/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,18,19,22);1H
InChIKeyPAVKRBNVVRFSEG-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.63
Rot. Bonds4

About 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride

4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride (PubChem CID 137096156) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride
PubChem CID137096156
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC Name4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride
SMILESCCc1cc(=O)[nH]c(CN2CCNCC2c2nccn2C)n1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-3-11-8-14(22)19-13(18-11)10-21-7-4-16-9-12(21)15-17-5-6-20(15)2;/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,18,19,22);1H
InChIKeyPAVKRBNVVRFSEG-UHFFFAOYSA-N
XLogP0.63
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137078249
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120870027
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120871028
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride (CID 137096156) is 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride is CCc1cc(=O)[nH]c(CN2CCNCC2c2nccn2C)n1.Cl.
What is the InChIKey of 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is PAVKRBNVVRFSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.ClH/c1-3-11-8-14(22)19-13(18-11)10-21-7-4-16-9-12(21)15-17-5-6-20(15)2;/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,18,19,22);1H.
What are the key properties of 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride?
4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 137096156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).