3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide

C12H19N3O4 — CID 106098930

IUPAC3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
SMILESCC(C)c1c(O)n(C(C)(C)CC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-6(2)8-9(17)14-11(19)15(10(8)18)12(3,4)5-7(13)16/h6,18H,5H2,1-4H3,(H2,13,16)(H,14,17,19)
InChIKeyADLLAXJNKPKAFI-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.02
Rot. Bonds4

About 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide

3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide (PubChem CID 106098930) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
PubChem CID106098930
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
SMILESCC(C)c1c(O)n(C(C)(C)CC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-6(2)8-9(17)14-11(19)15(10(8)18)12(3,4)5-7(13)16/h6,18H,5H2,1-4H3,(H2,13,16)(H,14,17,19)
InChIKeyADLLAXJNKPKAFI-UHFFFAOYSA-N
XLogP-0.02
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 114155514
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006139
6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 113494336
3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide
CID 106098925
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
CID 107851480
6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 106422345
6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 113470903
2-[[4-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106097468
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide?
The IUPAC name of 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide (CID 106098930) is 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide.
What is the SMILES notation for 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide?
The canonical SMILES for 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide is CC(C)c1c(O)n(C(C)(C)CC(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide?
The InChIKey is ADLLAXJNKPKAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-6(2)8-9(17)14-11(19)15(10(8)18)12(3,4)5-7(13)16/h6,18H,5H2,1-4H3,(H2,13,16)(H,14,17,19).
What are the key properties of 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide?
3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide has a molecular weight of 269.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide is sourced from PubChem (CID 106098930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).