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

C11H14ClN3O2 — CID 114581823

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H14ClN3O2/c1-4-5-13-11(17)7(2)15-8(3)14-9(12)6-10(15)16/h4,6-7H,1,5H2,2-3H3,(H,13,17)
InChIKeyDPLOVEAEEDETMN-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.07
Rot. Bonds4

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 114581823) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
PubChem CID114581823
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H14ClN3O2/c1-4-5-13-11(17)7(2)15-8(3)14-9(12)6-10(15)16/h4,6-7H,1,5H2,2-3H3,(H,13,17)
InChIKeyDPLOVEAEEDETMN-UHFFFAOYSA-N
XLogP1.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.07
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-enylpropanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide (CID 114581823) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is DPLOVEAEEDETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-4-5-13-11(17)7(2)15-8(3)14-9(12)6-10(15)16/h4,6-7H,1,5H2,2-3H3,(H,13,17).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 255.70 g/mol, XLogP of 1.07, 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-enylpropanamide is sourced from PubChem (CID 114581823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).