5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one

C17H23N5O2 — CID 135911496

IUPAC5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(COC)nc(N2CCN(c3ccccn3)CC2)[nH]c1=O
InChIInChI=1S/C17H23N5O2/c1-3-13-14(12-24-2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-6-4-5-7-18-15/h4-7H,3,8-12H2,1-2H3,(H,19,20,23)
InChIKeyRPIRQLMQGPPDRG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds5

About 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one

5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135911496) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135911496
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(COC)nc(N2CCN(c3ccccn3)CC2)[nH]c1=O
InChIInChI=1S/C17H23N5O2/c1-3-13-14(12-24-2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-6-4-5-7-18-15/h4-7H,3,8-12H2,1-2H3,(H,19,20,23)
InChIKeyRPIRQLMQGPPDRG-UHFFFAOYSA-N
XLogP1.20
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-ethyl-4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 135911490
4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 135911508
4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135893937
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420
6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
CID 136780272
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
N-benzyl-N-methyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843972
2-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 82562939
6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 82562731
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136663273
7-(3,4-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135631015

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135911496) is 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one is CCc1c(COC)nc(N2CCN(c3ccccn3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is RPIRQLMQGPPDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-13-14(12-24-2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-6-4-5-7-18-15/h4-7H,3,8-12H2,1-2H3,(H,19,20,23).
What are the key properties of 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 329.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135911496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).