2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide

C11H15Cl2N3O2 — CID 114583240

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-3-7(4-2)15-8(17)5-16-6-14-10(13)9(12)11(16)18/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyBHBWWKYXXWOLJH-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.85
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide (PubChem CID 114583240) 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-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
PubChem CID114583240
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-3-7(4-2)15-8(17)5-16-6-14-10(13)9(12)11(16)18/h6-7H,3-5H2,1-2H3,(H,15,17)
InChIKeyBHBWWKYXXWOLJH-UHFFFAOYSA-N
XLogP1.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
CID 116624308
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777
5,6-dichloro-3-(propan-2-yloxymethyl)pyrimidin-4-one
CID 130551563
5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide (CID 114583240) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is BHBWWKYXXWOLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-3-7(4-2)15-8(17)5-16-6-14-10(13)9(12)11(16)18/h6-7H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 292.17 g/mol, XLogP of 1.85, 5 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-pentan-3-ylacetamide is sourced from PubChem (CID 114583240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).