5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one

C12H21N4O+ — CID 135575591

IUPAC5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-4-10-9(2)13-12(14-11(10)17)16-7-5-15(3)6-8-16/h4-8H2,1-3H3,(H,13,14,17)/p+1
InChIKeyIFMGSLCREPSEBV-UHFFFAOYSA-O
MW237.33 g/mol
LogP-1.02
Rot. Bonds2

About 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one (PubChem CID 135575591) has the molecular formula C12H21N4O+ and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one
PubChem CID135575591
Molecular FormulaC12H21N4O+
Molecular Weight237.33 g/mol
Exact Mass237.17
IUPAC Name5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-4-10-9(2)13-12(14-11(10)17)16-7-5-15(3)6-8-16/h4-8H2,1-3H3,(H,13,14,17)/p+1
InChIKeyIFMGSLCREPSEBV-UHFFFAOYSA-O
XLogP-1.02
TPSA53.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135417158
5H-Cyclopentapyrimidin-4-ol, 6,7-dihydro-2-(4-methyl-1-piperazinyl)-
CID 135445467
2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417580
2-(4-ethylpiperazin-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135644652
5H-Cycloheptapyrimidin-4-ol, 6,7,8,9-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135618186
2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135425126
2-(4-Methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135621818
"N-methyl-2-(4-methylpiperazino)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide"
CID 136665474
7-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136665802
2-(dimethylamino)-7-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136880720
2-(Piperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578166
2-(4-ethylpiperazin-1-yl)-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135644657

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one (CID 135575591) is 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one is CCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one?
The InChIKey is IFMGSLCREPSEBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20N4O/c1-4-10-9(2)13-12(14-11(10)17)16-7-5-15(3)6-8-16/h4-8H2,1-3H3,(H,13,14,17)/p+1.
What are the key properties of 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one has a molecular weight of 237.33 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135575591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).