4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one

C20H25N5O3 — CID 70779297

IUPAC4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1cccc(N2CC(C)N(C(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1
InChIInChI=1S/C20H25N5O3/c1-12-10-25(15-6-5-7-16(8-15)28-4)19(27)11-24(12)18(26)9-17-13(2)22-20(21)23-14(17)3/h5-8,12H,9-11H2,1-4H3,(H2,21,22,23)
InChIKeyFDNNZSLMFZLCCY-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.49
Rot. Bonds4

About 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one

4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one (PubChem CID 70779297) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
PubChem CID70779297
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1cccc(N2CC(C)N(C(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1
InChIInChI=1S/C20H25N5O3/c1-12-10-25(15-6-5-7-16(8-15)28-4)19(27)11-24(12)18(26)9-17-13(2)22-20(21)23-14(17)3/h5-8,12H,9-11H2,1-4H3,(H2,21,22,23)
InChIKeyFDNNZSLMFZLCCY-UHFFFAOYSA-N
XLogP1.49
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041
(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042
4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 70766347
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
CID 70709682
(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 96577675
(5S)-4-butylsulfonyl-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 126446828
(5S)-4-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96575295
(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96572357
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 96581194
[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
CID 70736446

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The IUPAC name of 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one (CID 70779297) is 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one is COc1cccc(N2CC(C)N(C(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1.
What is the InChIKey of 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The InChIKey is FDNNZSLMFZLCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-10-25(15-6-5-7-16(8-15)28-4)19(27)11-24(12)18(26)9-17-13(2)22-20(21)23-14(17)3/h5-8,12H,9-11H2,1-4H3,(H2,21,22,23).
What are the key properties of 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one has a molecular weight of 383.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 70779297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).