2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

C12H19N3O5 — CID 106250518

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O5/c1-12(19,3-4-20-2)7-13-9(16)5-8-6-10(17)15-11(18)14-8/h6,19H,3-5,7H2,1-2H3,(H,13,16)(H2,14,15,17,18)
InChIKeyOWJUVOPENQKTMM-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.49
Rot. Bonds7

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (PubChem CID 106250518) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
PubChem CID106250518
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O5/c1-12(19,3-4-20-2)7-13-9(16)5-8-6-10(17)15-11(18)14-8/h6,19H,3-5,7H2,1-2H3,(H,13,16)(H2,14,15,17,18)
InChIKeyOWJUVOPENQKTMM-UHFFFAOYSA-N
XLogP-1.49
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 102977030
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915109
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
CID 106249974
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712613
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (CID 106250518) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is COCCC(C)(O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The InChIKey is OWJUVOPENQKTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-12(19,3-4-20-2)7-13-9(16)5-8-6-10(17)15-11(18)14-8/h6,19H,3-5,7H2,1-2H3,(H,13,16)(H2,14,15,17,18).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is sourced from PubChem (CID 106250518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).