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

C13H23N4O+ — CID 135774812

IUPAC4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-4-5-11-10(2)14-13(15-12(11)18)17-8-6-16(3)7-9-17/h4-9H2,1-3H3,(H,14,15,18)/p+1
InChIKeyWFJVRZWNXLHPHQ-UHFFFAOYSA-O
MW251.35 g/mol
LogP-0.63
Rot. Bonds3

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

4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 135774812) has the molecular formula C13H23N4O+ and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID135774812
Molecular FormulaC13H23N4O+
Molecular Weight251.35 g/mol
Exact Mass251.19
IUPAC Name4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-4-5-11-10(2)14-13(15-12(11)18)17-8-6-16(3)7-9-17/h4-9H2,1-3H3,(H,14,15,18)/p+1
InChIKeyWFJVRZWNXLHPHQ-UHFFFAOYSA-O
XLogP-0.63
TPSA53.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethirimol
CID 135424354
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
5,6,7,8-Tetrahydro-2-(1-piperidinyl)-4(3H)-quinazolinone
CID 135417546
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
5H-Cycloheptapyrimidin-4-ol, 6,7,8,9-tetrahydro-2-piperidino-
CID 135618189
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one (CID 135774812) is 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is WFJVRZWNXLHPHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22N4O/c1-4-5-11-10(2)14-13(15-12(11)18)17-8-6-16(3)7-9-17/h4-9H2,1-3H3,(H,14,15,18)/p+1.
What are the key properties of 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one?
4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 251.35 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135774812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).