2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide

C10H14FN3O — CID 167216137

IUPAC2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide
SMILESCC(C)(C)c1ncc(F)c(CC(N)=O)n1
InChIInChI=1S/C10H14FN3O/c1-10(2,3)9-13-5-6(11)7(14-9)4-8(12)15/h5H,4H2,1-3H3,(H2,12,15)
InChIKeyUUESNDQATISMET-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.94
Rot. Bonds2

About 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide

2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide (PubChem CID 167216137) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide
PubChem CID167216137
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide
SMILESCC(C)(C)c1ncc(F)c(CC(N)=O)n1
InChIInChI=1S/C10H14FN3O/c1-10(2,3)9-13-5-6(11)7(14-9)4-8(12)15/h5H,4H2,1-3H3,(H2,12,15)
InChIKeyUUESNDQATISMET-UHFFFAOYSA-N
XLogP0.94
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrimidin-4-yl)acetamide
CID 67050464
N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-2-ylbutanamide
CID 18735979
N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
CID 18735982
N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide
CID 18735983
N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
CID 18736132
(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)propanamide
CID 68982070
N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
CID 71106765
N-butyl-N-(4-ethyl-5-fluoropyrimidin-2-yl)butanamide
CID 71107006
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-3-ylbutanamide
CID 71107274
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-pentan-2-ylbutanamide
CID 71107596
2-(5-Fluoropyrimidin-4-yl)acetaldehyde
CID 87259229
2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide
CID 123535457

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide?
The IUPAC name of 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide (CID 167216137) is 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide is CC(C)(C)c1ncc(F)c(CC(N)=O)n1.
What is the InChIKey of 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide?
The InChIKey is UUESNDQATISMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-10(2,3)9-13-5-6(11)7(14-9)4-8(12)15/h5H,4H2,1-3H3,(H2,12,15).
What are the key properties of 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide?
2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide has a molecular weight of 211.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-fluoropyrimidin-4-yl)acetamide is sourced from PubChem (CID 167216137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).