N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide

C9H9Cl2N3O — CID 135031474

IUPACN-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C9H9Cl2N3O/c1-3-4-14(6(2)15)9-12-7(10)5-8(11)13-9/h3,5H,1,4H2,2H3
InChIKeyPFQNCWDCGOBAKZ-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.32
Rot. Bonds3

About N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide

N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide (PubChem CID 135031474) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide
PubChem CID135031474
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameN-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C9H9Cl2N3O/c1-3-4-14(6(2)15)9-12-7(10)5-8(11)13-9/h3,5H,1,4H2,2H3
InChIKeyPFQNCWDCGOBAKZ-UHFFFAOYSA-N
XLogP2.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide (CID 135031474) is N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide is C=CCN(C(C)=O)c1nc(Cl)cc(Cl)n1.
What is the InChIKey of N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide?
The InChIKey is PFQNCWDCGOBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c1-3-4-14(6(2)15)9-12-7(10)5-8(11)13-9/h3,5H,1,4H2,2H3.
What are the key properties of N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide?
N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide has a molecular weight of 246.10 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 135031474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).