2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

C12H18IN3O2 — CID 66341596

IUPAC2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C12H18IN3O2/c1-8(2)4-5-14-11(17)7-16-9(3)15-6-10(13)12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyYJESGYYTUOMVGU-UHFFFAOYSA-N
MW363.20 g/mol
LogP1.32
Rot. Bonds5

About 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 66341596) has the molecular formula C12H18IN3O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID66341596
Molecular FormulaC12H18IN3O2
Molecular Weight363.20 g/mol
Exact Mass363.04
IUPAC Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C12H18IN3O2/c1-8(2)4-5-14-11(17)7-16-9(3)15-6-10(13)12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyYJESGYYTUOMVGU-UHFFFAOYSA-N
XLogP1.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 66339829
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 66340688
N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341152
methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65172997
methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
CID 66342694
3-(2-hydroxypropyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340054
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458
5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
CID 66340708
ethyl 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-3-oxobutanoate
CID 66342493
N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66342718
N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340046
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66341613

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (CID 66341596) is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is Cc1ncc(I)c(=O)n1CC(=O)NCCC(C)C.
What is the InChIKey of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is YJESGYYTUOMVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O2/c1-8(2)4-5-14-11(17)7-16-9(3)15-6-10(13)12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17).
What are the key properties of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 363.20 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 66341596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).