2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

C13H20ClN3O2 — CID 114584350

IUPAC2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C13H20ClN3O2/c1-4-11-16-10(14)7-13(19)17(11)8-12(18)15-6-5-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyULYZHAMBBRHMGQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.62
Rot. Bonds6

About 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 114584350) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID114584350
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C13H20ClN3O2/c1-4-11-16-10(14)7-13(19)17(11)8-12(18)15-6-5-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyULYZHAMBBRHMGQ-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114584717
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66341596
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-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
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 113604483

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (CID 114584350) is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is CCc1nc(Cl)cc(=O)n1CC(=O)NCCC(C)C.
What is the InChIKey of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is ULYZHAMBBRHMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-11-16-10(14)7-13(19)17(11)8-12(18)15-6-5-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,15,18).
What are the key properties of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 285.77 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 114584350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).