2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C14H20N4O3 — CID 143940523

IUPAC2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ncc(CC(=O)NCCCN2CCCC2=O)c(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-10-16-9-11(14(21)17-10)8-12(19)15-5-3-7-18-6-2-4-13(18)20/h9H,2-8H2,1H3,(H,15,19)(H,16,17,21)
InChIKeyJPIQDBIYFVTDMD-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.25
Rot. Bonds6

About 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 143940523) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID143940523
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ncc(CC(=O)NCCCN2CCCC2=O)c(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-10-16-9-11(14(21)17-10)8-12(19)15-5-3-7-18-6-2-4-13(18)20/h9H,2-8H2,1H3,(H,15,19)(H,16,17,21)
InChIKeyJPIQDBIYFVTDMD-UHFFFAOYSA-N
XLogP-0.25
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940630
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171
(4S)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56722262
(4R)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56747328
2-Tert-butyl-4-hydroxy-N-[3-(2-oxopyrrolidin-1-YL)propyl]pyrimidine-5-carboxamide
CID 70740259

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 143940523) is 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1ncc(CC(=O)NCCCN2CCCC2=O)c(=O)[nH]1.
What is the InChIKey of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is JPIQDBIYFVTDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-16-9-11(14(21)17-10)8-12(19)15-5-3-7-18-6-2-4-13(18)20/h9H,2-8H2,1H3,(H,15,19)(H,16,17,21).
What are the key properties of 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 143940523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).