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

C11H15Cl2N3O2 — CID 114583118

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-6(2)4-14-10(17)7(3)16-5-15-9(13)8(12)11(16)18/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyMJTDXEBBJWGYPX-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.88
Rot. Bonds4

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

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 114583118) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID114583118
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-6(2)4-14-10(17)7(3)16-5-15-9(13)8(12)11(16)18/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyMJTDXEBBJWGYPX-UHFFFAOYSA-N
XLogP1.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
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-(3-methylbutyl)acetamide
CID 113604274
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-pentan-3-ylacetamide
CID 113604293
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
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604326
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604332
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113604337

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide (CID 114583118) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is MJTDXEBBJWGYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-6(2)4-14-10(17)7(3)16-5-15-9(13)8(12)11(16)18/h5-7H,4H2,1-3H3,(H,14,17).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 292.17 g/mol, XLogP of 1.88, 4 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 114583118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).