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

C12H16F3N3O3 — CID 107483374

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O3/c1-7-9(8(2)17-11(21)16-7)5-10(20)18(3-4-19)6-12(13,14)15/h19H,3-6H2,1-2H3,(H,16,17,21)
InChIKeyUOAXGYANPVOZQN-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.31
Rot. Bonds5

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107483374) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107483374
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O3/c1-7-9(8(2)17-11(21)16-7)5-10(20)18(3-4-19)6-12(13,14)15/h19H,3-6H2,1-2H3,(H,16,17,21)
InChIKeyUOAXGYANPVOZQN-UHFFFAOYSA-N
XLogP0.31
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107483374) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UOAXGYANPVOZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-7-9(8(2)17-11(21)16-7)5-10(20)18(3-4-19)6-12(13,14)15/h19H,3-6H2,1-2H3,(H,16,17,21).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 307.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107483374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).