2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide

C10H15N3O4 — CID 65037150

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-6(5-14)4-11-8(15)2-7-3-9(16)13-10(17)12-7/h3,6,14H,2,4-5H2,1H3,(H,11,15)(H2,12,13,16,17)
InChIKeyLLMIDCOAIZLJHE-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.65
Rot. Bonds5

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65037150) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65037150
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-6(5-14)4-11-8(15)2-7-3-9(16)13-10(17)12-7/h3,6,14H,2,4-5H2,1H3,(H,11,15)(H2,12,13,16,17)
InChIKeyLLMIDCOAIZLJHE-UHFFFAOYSA-N
XLogP-1.65
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915109
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
CID 65223162
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 106436139
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 10751009
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 106250518
6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
CID 83856785
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307202
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 61151688
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008446

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65037150) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide is CC(CO)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is LLMIDCOAIZLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(5-14)4-11-8(15)2-7-3-9(16)13-10(17)12-7/h3,6,14H,2,4-5H2,1H3,(H,11,15)(H2,12,13,16,17).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65037150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).