2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C14H23N3O3 — CID 106166621

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H23N3O3/c1-5-14(4,6-7-18)17-12(19)8-11-9(2)15-13(20)16-10(11)3/h18H,5-8H2,1-4H3,(H,17,19)(H,15,16,20)
InChIKeyHYLFTYHGTRYUKT-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.60
Rot. Bonds6

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 106166621) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID106166621
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H23N3O3/c1-5-14(4,6-7-18)17-12(19)8-11-9(2)15-13(20)16-10(11)3/h18H,5-8H2,1-4H3,(H,17,19)(H,15,16,20)
InChIKeyHYLFTYHGTRYUKT-UHFFFAOYSA-N
XLogP0.60
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.60
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-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866602
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114476
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 113356510
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
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]propanoic acid
CID 43355414
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-(4-hydroxy-2-methylbutyl)acetamide
CID 66108393
(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821788
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-hydroxy-3-methylbutan-2-yl)acetamide
CID 79253049
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66181059

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 106166621) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is HYLFTYHGTRYUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-14(4,6-7-18)17-12(19)8-11-9(2)15-13(20)16-10(11)3/h18H,5-8H2,1-4H3,(H,17,19)(H,15,16,20).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.60, 6 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-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 106166621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).