N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide

C9H11N3O2 — CID 22925094

IUPACN,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide
SMILESCN(C)C(=O)CC(=O)c1cncnc1
InChIInChI=1S/C9H11N3O2/c1-12(2)9(14)3-8(13)7-4-10-6-11-5-7/h4-6H,3H2,1-2H3
InChIKeyJPWIPOXELHQTOT-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.14
Rot. Bonds3

About N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide

N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide (PubChem CID 22925094) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide
PubChem CID22925094
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide
SMILESCN(C)C(=O)CC(=O)c1cncnc1
InChIInChI=1S/C9H11N3O2/c1-12(2)9(14)3-8(13)7-4-10-6-11-5-7/h4-6H,3H2,1-2H3
InChIKeyJPWIPOXELHQTOT-UHFFFAOYSA-N
XLogP0.14
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide 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

N,N-dimethyl-3-oxo-3-pyrimidin-4-ylpropanamide
CID 22925240
N,N-dimethyl-3-oxo-3-(3-sulfanylphenyl)propanamide
CID 91398568
N-methylpyrimidine-5-carboxamide
CID 23534458
2-propan-2-ylsulfanyl-1-pyrimidin-5-ylethanone
CID 65134851
4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one
CID 116596516
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
2-(2-methylpropylsulfanyl)-1-pyrimidin-5-ylethanone
CID 65138403
N'-ethylpyrimidine-5-carbohydrazide
CID 140545121
N,N-dihydroxypyrimidine-5-carboxamide
CID 87355702
3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
CID 102923156
N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 168931519
diethyl 2-(pyrimidine-5-carbonylamino)propanedioate
CID 104625967

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide?
The IUPAC name of N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide (CID 22925094) is N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide?
The canonical SMILES for N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide is CN(C)C(=O)CC(=O)c1cncnc1.
What is the InChIKey of N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide?
The InChIKey is JPWIPOXELHQTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12(2)9(14)3-8(13)7-4-10-6-11-5-7/h4-6H,3H2,1-2H3.
What are the key properties of N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide?
N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide has a molecular weight of 193.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-3-pyrimidin-5-ylpropanamide is sourced from PubChem (CID 22925094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).