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

C13H21N3O3 — CID 79253049

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(CO)C(C)C
InChIInChI=1S/C13H21N3O3/c1-7(2)11(6-17)16-12(18)5-10-8(3)14-13(19)15-9(10)4/h7,11,17H,5-6H2,1-4H3,(H,16,18)(H,14,15,19)
InChIKeyBZYGTZLDPYNCBG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.06
Rot. Bonds5

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79253049) 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-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79253049
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(CO)C(C)C
InChIInChI=1S/C13H21N3O3/c1-7(2)11(6-17)16-12(18)5-10-8(3)14-13(19)15-9(10)4/h7,11,17H,5-6H2,1-4H3,(H,16,18)(H,14,15,19)
InChIKeyBZYGTZLDPYNCBG-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79253049) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NC(CO)C(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is BZYGTZLDPYNCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-7(2)11(6-17)16-12(18)5-10-8(3)14-13(19)15-9(10)4/h7,11,17H,5-6H2,1-4H3,(H,16,18)(H,14,15,19).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.06, 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-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79253049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).