2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide

C13H20ClN3O2 — CID 114581630

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NCCC(C)C
InChIInChI=1S/C13H20ClN3O2/c1-8(2)5-6-15-13(19)9(3)17-10(4)16-11(14)7-12(17)18/h7-9H,5-6H2,1-4H3,(H,15,19)
InChIKeyDFSRSDUIPOXHQL-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.93
Rot. Bonds5

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (PubChem CID 114581630) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
PubChem CID114581630
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NCCC(C)C
InChIInChI=1S/C13H20ClN3O2/c1-8(2)5-6-15-13(19)9(3)17-10(4)16-11(14)7-12(17)18/h7-9H,5-6H2,1-4H3,(H,15,19)
InChIKeyDFSRSDUIPOXHQL-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
2,6-Dimethyl-3-[3-methyl-2-(propylamino)butyl]pyrimidin-4-one
CID 80446670
2,6-Dimethyl-3-[3-methyl-2-(methylamino)butyl]pyrimidin-4-one
CID 80446698
3-[2-(Ethylamino)-3-methylbutyl]-2,6-dimethylpyrimidin-4-one
CID 80446747
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604189
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604190
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (CID 114581630) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is Cc1nc(Cl)cc(=O)n1C(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is DFSRSDUIPOXHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)5-6-15-13(19)9(3)17-10(4)16-11(14)7-12(17)18/h7-9H,5-6H2,1-4H3,(H,15,19).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 285.78 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 114581630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).