1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one

C22H26N6O2 — CID 46988685

IUPAC1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3nccc(-c4c(C)nn(C)c4C)n3)CC2=O)cc1
InChIInChI=1S/C22H26N6O2/c1-15-21(16(2)26(3)25-15)19-9-10-23-22(24-19)28-12-11-27(20(29)14-28)13-17-5-7-18(30-4)8-6-17/h5-10H,11-14H2,1-4H3
InChIKeyBZUOYVIIDFZJGP-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.35
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one

1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one (PubChem CID 46988685) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
PubChem CID46988685
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3nccc(-c4c(C)nn(C)c4C)n3)CC2=O)cc1
InChIInChI=1S/C22H26N6O2/c1-15-21(16(2)26(3)25-15)19-9-10-23-22(24-19)28-12-11-27(20(29)14-28)13-17-5-7-18(30-4)8-6-17/h5-10H,11-14H2,1-4H3
InChIKeyBZUOYVIIDFZJGP-UHFFFAOYSA-N
XLogP2.35
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 46997091
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
CID 157019296
1-(2-methylpropyl)-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]-1,4-diazepane
CID 46984674
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 72898790
1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 31074075
1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one
CID 171323755
1-[(4-methoxyphenyl)methyl]-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 118779086

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one (CID 46988685) is 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one is COc1ccc(CN2CCN(c3nccc(-c4c(C)nn(C)c4C)n3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
The InChIKey is BZUOYVIIDFZJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-21(16(2)26(3)25-15)19-9-10-23-22(24-19)28-12-11-27(20(29)14-28)13-17-5-7-18(30-4)8-6-17/h5-10H,11-14H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one has a molecular weight of 406.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 46988685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).