2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

C11H15Cl2N3O2 — CID 114583053

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-6(2)7(3)15-8(17)4-16-5-14-10(13)9(12)11(16)18/h5-7H,4H2,1-3H3,(H,15,17)
InChIKeyMIVOZPRXGUUTRC-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.71
Rot. Bonds4

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 114583053) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID114583053
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-6(2)7(3)15-8(17)4-16-5-14-10(13)9(12)11(16)18/h5-7H,4H2,1-3H3,(H,15,17)
InChIKeyMIVOZPRXGUUTRC-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-(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
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604347

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 114583053) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is MIVOZPRXGUUTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-6(2)7(3)15-8(17)4-16-5-14-10(13)9(12)11(16)18/h5-7H,4H2,1-3H3,(H,15,17).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 292.17 g/mol, XLogP of 1.71, 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114583053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).