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

C11H17N3O3 — CID 43501063

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)CO
InChIInChI=1S/C11H17N3O3/c1-6(5-15)12-10(16)4-9-7(2)13-11(17)14-8(9)3/h6,15H,4-5H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyAKZBIYKDUCDJBL-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.57
Rot. Bonds4

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 43501063) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID43501063
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)CO
InChIInChI=1S/C11H17N3O3/c1-6(5-15)12-10(16)4-9-7(2)13-11(17)14-8(9)3/h6,15H,4-5H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyAKZBIYKDUCDJBL-UHFFFAOYSA-N
XLogP-0.57
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.57
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-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide (CID 43501063) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NC(C)CO.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is AKZBIYKDUCDJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(5-15)12-10(16)4-9-7(2)13-11(17)14-8(9)3/h6,15H,4-5H2,1-3H3,(H,12,16)(H,13,14,17).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.57, 4 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-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 43501063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).