5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C18H24N4O2 — CID 135491350

IUPAC5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O
InChIInChI=1S/C18H24N4O2/c1-4-16-13(2)19-18(20-17(16)23)22-10-8-21(9-11-22)14-6-5-7-15(12-14)24-3/h5-7,12H,4,8-11H2,1-3H3,(H,19,20,23)
InChIKeySGDZVSUORVKUAJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.98
Rot. Bonds4

About 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491350) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135491350
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O
InChIInChI=1S/C18H24N4O2/c1-4-16-13(2)19-18(20-17(16)23)22-10-8-21(9-11-22)14-6-5-7-15(12-14)24-3/h5-7,12H,4,8-11H2,1-3H3,(H,19,20,23)
InChIKeySGDZVSUORVKUAJ-UHFFFAOYSA-N
XLogP1.98
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-Methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-ol
CID 135652704
2-[4-(3-Methoxyphenyl)piperazinyl]-3,5,6,7,8-pentahydroquinazolin-4-one
CID 135644892
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135491346
(5E)-1-(3-methoxyphenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 1877351
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 3986132
5-ethyl-2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-4(3H)-pyrimidinone
CID 135491367
2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417609
N-(3-methoxyphenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136230229
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155522687
2-[4-(3-Methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 155549220
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135445398
2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135445400

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135491350) is 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SGDZVSUORVKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-16-13(2)19-18(20-17(16)23)22-10-8-21(9-11-22)14-6-5-7-15(12-14)24-3/h5-7,12H,4,8-11H2,1-3H3,(H,19,20,23).
What are the key properties of 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 328.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).