2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide

C13H21N3O3 — CID 65114476

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C13H21N3O3/c1-5-13(4,19)7-14-11(17)6-10-8(2)15-12(18)16-9(10)3/h19H,5-7H2,1-4H3,(H,14,17)(H,15,16,18)
InChIKeyFRTFQPLFDLBCNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.21
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide (PubChem CID 65114476) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
PubChem CID65114476
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C13H21N3O3/c1-5-13(4,19)7-14-11(17)6-10-8(2)15-12(18)16-9(10)3/h19H,5-7H2,1-4H3,(H,14,17)(H,15,16,18)
InChIKeyFRTFQPLFDLBCNZ-UHFFFAOYSA-N
XLogP0.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66181059
N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 106167923
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866602
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106166621
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
CID 62674437
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108393
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61022406
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500431
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43469506
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113658

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide (CID 65114476) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide is CCC(C)(O)CNC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The InChIKey is FRTFQPLFDLBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-13(4,19)7-14-11(17)6-10-8(2)15-12(18)16-9(10)3/h19H,5-7H2,1-4H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 65114476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).