6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione

C24H27N5O4 — CID 2088446

IUPAC6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCN(c3ccccc3O)CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H27N5O4/c1-26-23(32)21(22(25)29(24(26)33)15-17-7-3-2-4-8-17)20(31)16-27-11-13-28(14-12-27)18-9-5-6-10-19(18)30/h2-10,30H,11-16,25H2,1H3
InChIKeyHKHZGHKFCRZVCZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP0.89
Rot. Bonds6

About 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione (PubChem CID 2088446) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
PubChem CID2088446
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCN(c3ccccc3O)CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H27N5O4/c1-26-23(32)21(22(25)29(24(26)33)15-17-7-3-2-4-8-17)20(31)16-27-11-13-28(14-12-27)18-9-5-6-10-19(18)30/h2-10,30H,11-16,25H2,1H3
InChIKeyHKHZGHKFCRZVCZ-UHFFFAOYSA-N
XLogP0.89
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2086357
6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 4316106
6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione
CID 5156725
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione
CID 2474955
6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4795663
6-amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
6-amino-1-benzyl-3-methyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685169
3-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2689879
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopropanecarboxylate
CID 5014367
6-amino-1-benzyl-5-[2-[cycloheptyl(methyl)amino]acetyl]-3-methylpyrimidine-2,4-dione
CID 16577799
5-(4-acetylpiperazin-1-yl)-6-amino-1-benzyl-3-methylpyrimidine-2,4-dione
CID 2127971

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione (CID 2088446) is 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CN2CCN(c3ccccc3O)CC2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is HKHZGHKFCRZVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-26-23(32)21(22(25)29(24(26)33)15-17-7-3-2-4-8-17)20(31)16-27-11-13-28(14-12-27)18-9-5-6-10-19(18)30/h2-10,30H,11-16,25H2,1H3.
What are the key properties of 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 449.51 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2088446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).