2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide

C9H11Cl2N3O2 — CID 114583154

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-3-12-8(15)5(2)14-4-13-7(11)6(10)9(14)16/h4-5H,3H2,1-2H3,(H,12,15)
InChIKeyXJSVHILACKMTAH-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.25
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114583154) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114583154
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-3-12-8(15)5(2)14-4-13-7(11)6(10)9(14)16/h4-5H,3H2,1-2H3,(H,12,15)
InChIKeyXJSVHILACKMTAH-UHFFFAOYSA-N
XLogP1.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583182
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604268
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114583154) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is XJSVHILACKMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c1-3-12-8(15)5(2)14-4-13-7(11)6(10)9(14)16/h4-5H,3H2,1-2H3,(H,12,15).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 264.11 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114583154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).