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

C21H24N6O2 — CID 31074075

IUPAC1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(c3ncc(C)c(-c4cnn(C)c4)n3)CC2=O)c1
InChIInChI=1S/C21H24N6O2/c1-15-10-22-21(24-20(15)17-11-23-25(2)13-17)27-8-7-26(19(28)14-27)12-16-5-4-6-18(9-16)29-3/h4-6,9-11,13H,7-8,12,14H2,1-3H3
InChIKeySANOFHTUALWCHY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.04
Rot. Bonds5

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

1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one (PubChem CID 31074075) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
PubChem CID31074075
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(c3ncc(C)c(-c4cnn(C)c4)n3)CC2=O)c1
InChIInChI=1S/C21H24N6O2/c1-15-10-22-21(24-20(15)17-11-23-25(2)13-17)27-8-7-26(19(28)14-27)12-16-5-4-6-18(9-16)29-3/h4-6,9-11,13H,7-8,12,14H2,1-3H3
InChIKeySANOFHTUALWCHY-UHFFFAOYSA-N
XLogP2.04
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
CID 157019296
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319
1-[(3-methoxyphenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435293
2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171335654
8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235243
2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70733639
(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one (CID 31074075) is 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one is COc1cccc(CN2CCN(c3ncc(C)c(-c4cnn(C)c4)n3)CC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
The InChIKey is SANOFHTUALWCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-10-22-21(24-20(15)17-11-23-25(2)13-17)27-8-7-26(19(28)14-27)12-16-5-4-6-18(9-16)29-3/h4-6,9-11,13H,7-8,12,14H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one?
1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 31074075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).