5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine

C9H12BrF2N3 — CID 164651900

IUPAC5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)(F)CCNc1ncnc(F)c1Br
InChIInChI=1S/C9H12BrF2N3/c1-9(2,12)3-4-13-8-6(10)7(11)14-5-15-8/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyIUKJFANGJMFOGU-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.93
Rot. Bonds4

About 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine

5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine (PubChem CID 164651900) has the molecular formula C9H12BrF2N3 and a molecular weight of 280.12 g/mol. Its IUPAC name is 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine
PubChem CID164651900
Molecular FormulaC9H12BrF2N3
Molecular Weight280.12 g/mol
Exact Mass279.02
IUPAC Name5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)(F)CCNc1ncnc(F)c1Br
InChIInChI=1S/C9H12BrF2N3/c1-9(2,12)3-4-13-8-6(10)7(11)14-5-15-8/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyIUKJFANGJMFOGU-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
4-N-(2-cyclopropylethyl)-6-fluoropyrimidine-4,5-diamine
CID 164657826
5-bromo-6-N-ethyl-4-N-(4-propan-2-yloxybutyl)pyrimidine-4,6-diamine
CID 106014624
5-bromo-4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072758
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318
3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
CID 164654726
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
5-bromo-6-phenyl-N-propylpyrimidin-4-amine
CID 66294940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine (CID 164651900) is 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine is CC(C)(F)CCNc1ncnc(F)c1Br.
What is the InChIKey of 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine?
The InChIKey is IUKJFANGJMFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2N3/c1-9(2,12)3-4-13-8-6(10)7(11)14-5-15-8/h5H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine?
5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine has a molecular weight of 280.12 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 164651900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).