4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one

C18H22N4O2 — CID 39773361

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(c3nc(C)cc(C)n3)CC2=O)c1
InChIInChI=1S/C18H22N4O2/c1-13-9-14(2)20-18(19-13)22-8-7-21(17(23)12-22)11-15-5-4-6-16(10-15)24-3/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKeyAGHMCZFGKJWNNR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.95
Rot. Bonds4

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

4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 39773361) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
PubChem CID39773361
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(c3nc(C)cc(C)n3)CC2=O)c1
InChIInChI=1S/C18H22N4O2/c1-13-9-14(2)20-18(19-13)22-8-7-21(17(23)12-22)11-15-5-4-6-16(10-15)24-3/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKeyAGHMCZFGKJWNNR-UHFFFAOYSA-N
XLogP1.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
CID 157019296
1-[(3-methoxyphenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435293
1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 31074075
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319
2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171335654
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 70718784
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
CID 124755697

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one (CID 39773361) is 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one is COc1cccc(CN2CCN(c3nc(C)cc(C)n3)CC2=O)c1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is AGHMCZFGKJWNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-9-14(2)20-18(19-13)22-8-7-21(17(23)12-22)11-15-5-4-6-16(10-15)24-3/h4-6,9-10H,7-8,11-12H2,1-3H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 39773361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).