3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C16H21N5O4 — CID 131703742

IUPAC3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cc(=O)n(CC(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)cn1
InChIInChI=1S/C16H21N5O4/c1-11-7-13(22)20(10-17-11)8-15(24)19-5-3-12(4-6-19)21-9-14(23)18(2)16(21)25/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyNJVYPYMLRUZXBH-UHFFFAOYSA-N
MW347.38 g/mol
LogP-0.56
Rot. Bonds3

About 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 131703742) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID131703742
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cc(=O)n(CC(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)cn1
InChIInChI=1S/C16H21N5O4/c1-11-7-13(22)20(10-17-11)8-15(24)19-5-3-12(4-6-19)21-9-14(23)18(2)16(21)25/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyNJVYPYMLRUZXBH-UHFFFAOYSA-N
XLogP-0.56
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
CID 124891828
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
6-methyl-3-[2-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122333139
3-[2-[3-(cyclopropylmethylidene)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 139028579
6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 155977356
3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 131702762
5,6-dimethyl-3-[2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122268688
6-(4-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 30935730
6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 139028946
6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122348489
(E)-3-methyl-4-(4-methyl-6-oxopyrimidin-1-yl)but-2-enoic acid
CID 63774126
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 131703742) is 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1cc(=O)n(CC(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)cn1.
What is the InChIKey of 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is NJVYPYMLRUZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-11-7-13(22)20(10-17-11)8-15(24)19-5-3-12(4-6-19)21-9-14(23)18(2)16(21)25/h7,10,12H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 131703742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).