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

C10H12ClN3O2 — CID 114582251

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-3-4-12-10(16)7(2)14-6-13-8(11)5-9(14)15/h3,5-7H,1,4H2,2H3,(H,12,16)
InChIKeyLDHZTUFWGDEDCM-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.76
Rot. Bonds4

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 114582251) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
PubChem CID114582251
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-3-4-12-10(16)7(2)14-6-13-8(11)5-9(14)15/h3,5-7H,1,4H2,2H3,(H,12,16)
InChIKeyLDHZTUFWGDEDCM-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
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-enylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide (CID 114582251) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is LDHZTUFWGDEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-3-4-12-10(16)7(2)14-6-13-8(11)5-9(14)15/h3,5-7H,1,4H2,2H3,(H,12,16).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 241.68 g/mol, XLogP of 0.76, 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-enylpropanamide is sourced from PubChem (CID 114582251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).