2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

C10H12ClN3O2 — CID 114581615

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-3-4-12-9(15)6-14-7(2)13-8(11)5-10(14)16/h3,5H,1,4,6H2,2H3,(H,12,15)
InChIKeyVWAAYEXECUJOAT-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 114581615) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
PubChem CID114581615
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-3-4-12-9(15)6-14-7(2)13-8(11)5-10(14)16/h3,5H,1,4,6H2,2H3,(H,12,15)
InChIKeyVWAAYEXECUJOAT-UHFFFAOYSA-N
XLogP0.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (CID 114581615) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is VWAAYEXECUJOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-3-4-12-9(15)6-14-7(2)13-8(11)5-10(14)16/h3,5H,1,4,6H2,2H3,(H,12,15).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 241.68 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 114581615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).