3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine

C11H15F2N3 — CID 176650900

IUPAC3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCC(C)c1cnc(C2(N)CC(F)(F)C2)nc1
InChIInChI=1S/C11H15F2N3/c1-7(2)8-3-15-9(16-4-8)10(14)5-11(12,13)6-10/h3-4,7H,5-6,14H2,1-2H3
InChIKeyXLROCAGJBZCBDJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.18
Rot. Bonds2

About 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine

3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine (PubChem CID 176650900) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
PubChem CID176650900
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCC(C)c1cnc(C2(N)CC(F)(F)C2)nc1
InChIInChI=1S/C11H15F2N3/c1-7(2)8-3-15-9(16-4-8)10(14)5-11(12,13)6-10/h3-4,7H,5-6,14H2,1-2H3
InChIKeyXLROCAGJBZCBDJ-UHFFFAOYSA-N
XLogP2.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-amino-1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)cyclobutyl]-dideuteriomethanol
CID 176651347
ethane;2-fluoro-5-propan-2-ylpyrimidine
CID 178173609
ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine
CID 176711396
1-(5-fluoropyrimidin-2-yl)cyclopropan-1-amine
CID 67291362
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine
CID 130545603
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 139434807
2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159606910
2-(4-methylsulfanylpiperazin-1-yl)-5-propan-2-ylpyrimidine
CID 170578460
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine (CID 176650900) is 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine is CC(C)c1cnc(C2(N)CC(F)(F)C2)nc1.
What is the InChIKey of 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
The InChIKey is XLROCAGJBZCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-7(2)8-3-15-9(16-4-8)10(14)5-11(12,13)6-10/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine?
3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine has a molecular weight of 227.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(5-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 176650900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).