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

C11H15F2N3O3 — CID 106167923

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2N3O3/c1-6-8(7(2)16-10(19)15-6)3-9(18)14-4-11(12,13)5-17/h17H,3-5H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyCEDSUWVCRIGSLK-UHFFFAOYSA-N
MW275.25 g/mol
LogP-0.33
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 106167923) has the molecular formula C11H15F2N3O3 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID106167923
Molecular FormulaC11H15F2N3O3
Molecular Weight275.25 g/mol
Exact Mass275.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2N3O3/c1-6-8(7(2)16-10(19)15-6)3-9(18)14-4-11(12,13)5-17/h17H,3-5H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyCEDSUWVCRIGSLK-UHFFFAOYSA-N
XLogP-0.33
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide (CID 106167923) is N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is CEDSUWVCRIGSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3/c1-6-8(7(2)16-10(19)15-6)3-9(18)14-4-11(12,13)5-17/h17H,3-5H2,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 275.25 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 106167923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).