2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C21H23N5O2 — CID 11337884

IUPAC2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cccc(C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCN2)c1
InChIInChI=1S/C21H23N5O2/c1-25-20(27)13-18(15-6-8-22-9-7-15)24-21(25)26-11-10-23-19(14-26)16-4-3-5-17(12-16)28-2/h3-9,12-13,19,23H,10-11,14H2,1-2H3
InChIKeyBOVSPBWFWORURG-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.00
Rot. Bonds4

About 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 11337884) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID11337884
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1cccc(C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCN2)c1
InChIInChI=1S/C21H23N5O2/c1-25-20(27)13-18(15-6-8-22-9-7-15)24-21(25)26-11-10-23-19(14-26)16-4-3-5-17(12-16)28-2/h3-9,12-13,19,23H,10-11,14H2,1-2H3
InChIKeyBOVSPBWFWORURG-UHFFFAOYSA-N
XLogP2.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 11337884) is 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is COc1cccc(C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCN2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is BOVSPBWFWORURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-20(27)13-18(15-6-8-22-9-7-15)24-21(25)26-11-10-23-19(14-26)16-4-3-5-17(12-16)28-2/h3-9,12-13,19,23H,10-11,14H2,1-2H3.
What are the key properties of 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 377.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 11337884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).