6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C23H33N5O3 — CID 4795663

IUPAC6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1cccc(N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)c1C
InChIInChI=1S/C23H33N5O3/c1-15(2)13-28-21(24)20(22(30)25(5)23(28)31)19(29)14-26-9-11-27(12-10-26)18-8-6-7-16(3)17(18)4/h6-8,15H,9-14,24H2,1-5H3
InChIKeyFUSSCYSLKOGBIA-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.41
Rot. Bonds6

About 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 4795663) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID4795663
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1cccc(N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)c1C
InChIInChI=1S/C23H33N5O3/c1-15(2)13-28-21(24)20(22(30)25(5)23(28)31)19(29)14-26-9-11-27(12-10-26)18-8-6-7-16(3)17(18)4/h6-8,15H,9-14,24H2,1-5H3
InChIKeyFUSSCYSLKOGBIA-UHFFFAOYSA-N
XLogP1.41
TPSA93.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
CID 55470235
6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 2088446
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione
CID 27194199
6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 56525193
N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide
CID 55841714
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 27159037
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 78788514
5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 112796880
6-amino-5-[2-(3-fluoro-4-methylanilino)acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 26509207
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
methyl 2-bromo-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoate
CID 81091395
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 4795663) is 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is Cc1cccc(N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)c1C.
What is the InChIKey of 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is FUSSCYSLKOGBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-15(2)13-28-21(24)20(22(30)25(5)23(28)31)19(29)14-26-9-11-27(12-10-26)18-8-6-7-16(3)17(18)4/h6-8,15H,9-14,24H2,1-5H3.
What are the key properties of 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 427.55 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4795663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).