2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide

C12H19N3O3 — CID 34500280

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)N(C)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-8(2)9(3)14(4)11(17)7-15-6-5-10(16)13-12(15)18/h5-6,8-9H,7H2,1-4H3,(H,13,16,18)/t9-/m1/s1
InChIKeySLWZYXOZAQJPRD-SECBINFHSA-N
MW253.30 g/mol
LogP0.04
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 34500280) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID34500280
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)N(C)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-8(2)9(3)14(4)11(17)7-15-6-5-10(16)13-12(15)18/h5-6,8-9H,7H2,1-4H3,(H,13,16,18)/t9-/m1/s1
InChIKeySLWZYXOZAQJPRD-SECBINFHSA-N
XLogP0.04
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 31351368
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512838
N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 50958927
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
CID 61010746
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 47794810

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 34500280) is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)N(C)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is SLWZYXOZAQJPRD-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)9(3)14(4)11(17)7-15-6-5-10(16)13-12(15)18/h5-6,8-9H,7H2,1-4H3,(H,13,16,18)/t9-/m1/s1.
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 34500280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).