2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

C15H21N5O4 — CID 136663772

IUPAC2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCCc2nc(C)cc(=O)[nH]2)C1=O
InChIInChI=1S/C15H21N5O4/c1-3-6-20-14(23)10(18-15(20)24)8-12(21)16-5-4-11-17-9(2)7-13(22)19-11/h7,10H,3-6,8H2,1-2H3,(H,16,21)(H,18,24)(H,17,19,22)
InChIKeyNYSLRBGHAAHQGL-UHFFFAOYSA-N
MW335.36 g/mol
LogP-0.54
Rot. Bonds7

About 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (PubChem CID 136663772) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
PubChem CID136663772
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCCc2nc(C)cc(=O)[nH]2)C1=O
InChIInChI=1S/C15H21N5O4/c1-3-6-20-14(23)10(18-15(20)24)8-12(21)16-5-4-11-17-9(2)7-13(22)19-11/h7,10H,3-6,8H2,1-2H3,(H,16,21)(H,18,24)(H,17,19,22)
InChIKeyNYSLRBGHAAHQGL-UHFFFAOYSA-N
XLogP-0.54
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-6-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
CID 65688848
5-[2-(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 77080398
(5S)-5-[2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 99928194
(5R)-5-[2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 99928195
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)acetamide
CID 121119337
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}acetamide
CID 136050304
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136071057
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136071058
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]acetamide
CID 136083848
2-(1-isopropyl-3-oxo-2-piperazinyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 136100621
N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136205497
N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136205498

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (CID 136663772) is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is CCCN1C(=O)NC(CC(=O)NCCc2nc(C)cc(=O)[nH]2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is NYSLRBGHAAHQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-3-6-20-14(23)10(18-15(20)24)8-12(21)16-5-4-11-17-9(2)7-13(22)19-11/h7,10H,3-6,8H2,1-2H3,(H,16,21)(H,18,24)(H,17,19,22).
What are the key properties of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 335.36 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 136663772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).