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

C9H10ClN3O2 — CID 114582042

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C9H10ClN3O2/c1-2-3-11-8(14)5-13-6-12-7(10)4-9(13)15/h2,4,6H,1,3,5H2,(H,11,14)
InChIKeyDGOIMFRZXXQEKO-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.20
Rot. Bonds4

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 114582042) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
PubChem CID114582042
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C9H10ClN3O2/c1-2-3-11-8(14)5-13-6-12-7(10)4-9(13)15/h2,4,6H,1,3,5H2,(H,11,14)
InChIKeyDGOIMFRZXXQEKO-UHFFFAOYSA-N
XLogP0.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.20
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-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (CID 114582042) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is DGOIMFRZXXQEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-2-3-11-8(14)5-13-6-12-7(10)4-9(13)15/h2,4,6H,1,3,5H2,(H,11,14).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 227.65 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 114582042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).