4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine

C9H12F3N3O — CID 102950763

IUPAC4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine
SMILESCOc1cc(C(N)CCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-16-8-4-7(14-5-15-8)6(13)2-3-9(10,11)12/h4-6H,2-3,13H2,1H3
InChIKeyROZBVZBUAQZVKU-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.83
Rot. Bonds4

About 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine

4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine (PubChem CID 102950763) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine
PubChem CID102950763
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine
SMILESCOc1cc(C(N)CCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-16-8-4-7(14-5-15-8)6(13)2-3-9(10,11)12/h4-6H,2-3,13H2,1H3
InChIKeyROZBVZBUAQZVKU-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine (CID 102950763) is 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine is COc1cc(C(N)CCC(F)(F)F)ncn1.
What is the InChIKey of 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine?
The InChIKey is ROZBVZBUAQZVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-16-8-4-7(14-5-15-8)6(13)2-3-9(10,11)12/h4-6H,2-3,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine?
4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-amine is sourced from PubChem (CID 102950763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).