3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide

C12H19N3O4 — CID 106276852

IUPAC3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide
SMILESCCCc1c(O)n(CC(C)(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-4-5-7-8(16)14-11(19)15(9(7)17)6-12(2,3)10(13)18/h17H,4-6H2,1-3H3,(H2,13,18)(H,14,16,19)
InChIKeyGQEHMOHFZYFUAS-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.29
Rot. Bonds5

About 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide

3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide (PubChem CID 106276852) 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-propylpyrimidin-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide
PubChem CID106276852
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide
SMILESCCCc1c(O)n(CC(C)(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-4-5-7-8(16)14-11(19)15(9(7)17)6-12(2,3)10(13)18/h17H,4-6H2,1-3H3,(H2,13,18)(H,14,16,19)
InChIKeyGQEHMOHFZYFUAS-UHFFFAOYSA-N
XLogP-0.29
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione
CID 114944945
6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114102672
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propylpyrimidine-2,4-dione
CID 106377409
6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
CID 106040512
6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114958046
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 106277630
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide (CID 106276852) is 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide is CCCc1c(O)n(CC(C)(C)C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide?
The InChIKey is GQEHMOHFZYFUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-5-7-8(16)14-11(19)15(9(7)17)6-12(2,3)10(13)18/h17H,4-6H2,1-3H3,(H2,13,18)(H,14,16,19).
What are the key properties of 3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide?
3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide has a molecular weight of 269.30 g/mol, XLogP of -0.29, 5 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-propylpyrimidin-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 106276852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).