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

C10H13Cl2N3O3 — CID 114583215

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O3/c1-6(4-18-2)14-7(16)3-15-5-13-9(12)8(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyGLNVPUCLOQQOHP-UHFFFAOYSA-N
MW294.14 g/mol
LogP0.70
Rot. Bonds5

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

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 114583215) has the molecular formula C10H13Cl2N3O3 and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID114583215
Molecular FormulaC10H13Cl2N3O3
Molecular Weight294.14 g/mol
Exact Mass293.03
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O3/c1-6(4-18-2)14-7(16)3-15-5-13-9(12)8(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyGLNVPUCLOQQOHP-UHFFFAOYSA-N
XLogP0.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 114583215) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is GLNVPUCLOQQOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O3/c1-6(4-18-2)14-7(16)3-15-5-13-9(12)8(11)10(15)17/h5-6H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 294.14 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114583215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).