N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide

C11H15F2N3O — CID 58044325

IUPACN-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)C(F)(F)CNC(=O)c1ccncn1
InChIInChI=1S/C11H15F2N3O/c1-10(2,3)11(12,13)6-15-9(17)8-4-5-14-7-16-8/h4-5,7H,6H2,1-3H3,(H,15,17)
InChIKeyIRNBJFWDEMXIKQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.89
Rot. Bonds3

About N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide

N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide (PubChem CID 58044325) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide
PubChem CID58044325
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)C(F)(F)CNC(=O)c1ccncn1
InChIInChI=1S/C11H15F2N3O/c1-10(2,3)11(12,13)6-15-9(17)8-4-5-14-7-16-8/h4-5,7H,6H2,1-3H3,(H,15,17)
InChIKeyIRNBJFWDEMXIKQ-UHFFFAOYSA-N
XLogP1.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide (CID 58044325) is N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide is CC(C)(C)C(F)(F)CNC(=O)c1ccncn1.
What is the InChIKey of N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide?
The InChIKey is IRNBJFWDEMXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-10(2,3)11(12,13)6-15-9(17)8-4-5-14-7-16-8/h4-5,7H,6H2,1-3H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide?
N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 58044325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).