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

C19H26N4O3 — CID 135911493

IUPAC5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(COC)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O
InChIInChI=1S/C19H26N4O3/c1-4-16-17(13-25-2)20-19(21-18(16)24)23-11-9-22(10-12-23)14-5-7-15(26-3)8-6-14/h5-8H,4,9-13H2,1-3H3,(H,20,21,24)
InChIKeyFPDKEXWADINZFF-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.81
Rot. Bonds6

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

5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135911493) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135911493
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(COC)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O
InChIInChI=1S/C19H26N4O3/c1-4-16-17(13-25-2)20-19(21-18(16)24)23-11-9-22(10-12-23)14-5-7-15(26-3)8-6-14/h5-8H,4,9-13H2,1-3H3,(H,20,21,24)
InChIKeyFPDKEXWADINZFF-UHFFFAOYSA-N
XLogP1.81
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135911493) is 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCc1c(COC)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FPDKEXWADINZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-16-17(13-25-2)20-19(21-18(16)24)23-11-9-22(10-12-23)14-5-7-15(26-3)8-6-14/h5-8H,4,9-13H2,1-3H3,(H,20,21,24).
What are the key properties of 5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 358.44 g/mol, XLogP of 1.81, 6 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-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135911493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).