(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide

C9H11N3O — CID 166914330

IUPAC(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ncccn1
InChIInChI=1S/C9H11N3O/c1-12(2)9(13)5-4-8-10-6-3-7-11-8/h3-7H,1-2H3/b5-4+
InChIKeyDXMVCFYZEFJCQI-SNAWJCMRSA-N
MW177.21 g/mol
LogP0.58
Rot. Bonds2

About (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide

(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide (PubChem CID 166914330) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide
PubChem CID166914330
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ncccn1
InChIInChI=1S/C9H11N3O/c1-12(2)9(13)5-4-8-10-6-3-7-11-8/h3-7H,1-2H3/b5-4+
InChIKeyDXMVCFYZEFJCQI-SNAWJCMRSA-N
XLogP0.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide (CID 166914330) is (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide is CN(C)C(=O)/C=C/c1ncccn1.
What is the InChIKey of (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide?
The InChIKey is DXMVCFYZEFJCQI-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12(2)9(13)5-4-8-10-6-3-7-11-8/h3-7H,1-2H3/b5-4+.
What are the key properties of (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide?
(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide has a molecular weight of 177.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide is sourced from PubChem (CID 166914330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).