N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C13H17F2N3O3 — CID 59408210

IUPACN-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC[C@H]1OC(n2ccc(NC(C)=O)nc2=O)C(F)(F)C1C
InChIInChI=1S/C13H17F2N3O3/c1-4-9-7(2)13(14,15)11(21-9)18-6-5-10(16-8(3)19)17-12(18)20/h5-7,9,11H,4H2,1-3H3,(H,16,17,19,20)/t7?,9-,11?/m1/s1
InChIKeyWHVMVXXPYNNNHE-PUDKOPFASA-N
MW301.29 g/mol
LogP1.78
Rot. Bonds3

About N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 59408210) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID59408210
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC NameN-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC[C@H]1OC(n2ccc(NC(C)=O)nc2=O)C(F)(F)C1C
InChIInChI=1S/C13H17F2N3O3/c1-4-9-7(2)13(14,15)11(21-9)18-6-5-10(16-8(3)19)17-12(18)20/h5-7,9,11H,4H2,1-3H3,(H,16,17,19,20)/t7?,9-,11?/m1/s1
InChIKeyWHVMVXXPYNNNHE-PUDKOPFASA-N
XLogP1.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 59408210) is N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CC[C@H]1OC(n2ccc(NC(C)=O)nc2=O)C(F)(F)C1C.
What is the InChIKey of N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is WHVMVXXPYNNNHE-PUDKOPFASA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-4-9-7(2)13(14,15)11(21-9)18-6-5-10(16-8(3)19)17-12(18)20/h5-7,9,11H,4H2,1-3H3,(H,16,17,19,20)/t7?,9-,11?/m1/s1.
What are the key properties of N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 301.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 59408210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).