N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

C9H11N3O — CID 43616346

IUPACN-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C9H11N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h4-5H,1H2,2-3H3,(H,10,11,12,13)
InChIKeyJQXNDJCGNFXPDK-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.22
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide (PubChem CID 43616346) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
PubChem CID43616346
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C9H11N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h4-5H,1H2,2-3H3,(H,10,11,12,13)
InChIKeyJQXNDJCGNFXPDK-UHFFFAOYSA-N
XLogP1.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide (CID 43616346) is N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide is C=CC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
The InChIKey is JQXNDJCGNFXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h4-5H,1H2,2-3H3,(H,10,11,12,13).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide has a molecular weight of 177.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide is sourced from PubChem (CID 43616346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).