5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C19H24N4O3 — CID 70783415

IUPAC5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccccc1N1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-14-6-3-4-7-16(14)21-8-5-9-22(11-10-21)17(24)13-23-12-15(2)18(25)20-19(23)26/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,20,25,26)
InChIKeyGJAQSIUDTOZJJC-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.89
Rot. Bonds3

About 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 70783415) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID70783415
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccccc1N1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-14-6-3-4-7-16(14)21-8-5-9-22(11-10-21)17(24)13-23-12-15(2)18(25)20-19(23)26/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,20,25,26)
InChIKeyGJAQSIUDTOZJJC-UHFFFAOYSA-N
XLogP0.89
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-methyl-5-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 70763117
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
(1S,6R)-3-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 72876592
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 14615409
5-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70705404
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
CID 53299297
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 60662805
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 53040462
1-[1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 70746444
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 67375779
1-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]azepan-2-one
CID 70711022

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 70783415) is 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is Cc1ccccc1N1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is GJAQSIUDTOZJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-6-3-4-7-16(14)21-8-5-9-22(11-10-21)17(24)13-23-12-15(2)18(25)20-19(23)26/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,20,25,26).
What are the key properties of 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70783415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).