2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

C14H23N3O3 — CID 102915109

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)C
InChIInChI=1S/C14H23N3O3/c1-8(2)11(9(3)4)7-15-12(18)5-10-6-13(19)17-14(20)16-10/h6,8-9,11H,5,7H2,1-4H3,(H,15,18)(H2,16,17,19,20)
InChIKeyAMRSRICOEHQPIF-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.65
Rot. Bonds6

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (PubChem CID 102915109) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
PubChem CID102915109
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)C
InChIInChI=1S/C14H23N3O3/c1-8(2)11(9(3)4)7-15-12(18)5-10-6-13(19)17-14(20)16-10/h6,8-9,11H,5,7H2,1-4H3,(H,15,18)(H2,16,17,19,20)
InChIKeyAMRSRICOEHQPIF-UHFFFAOYSA-N
XLogP0.65
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037150
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
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 61151688
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
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (CID 102915109) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is CC(C)C(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The InChIKey is AMRSRICOEHQPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(2)11(9(3)4)7-15-12(18)5-10-6-13(19)17-14(20)16-10/h6,8-9,11H,5,7H2,1-4H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is sourced from PubChem (CID 102915109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).