N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine

C10H14F3N3 — CID 64586441

IUPACN-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
SMILESCCC(Cc1nccc(C(F)(F)F)n1)NC
InChIInChI=1S/C10H14F3N3/c1-3-7(14-2)6-9-15-5-4-8(16-9)10(11,12)13/h4-5,7,14H,3,6H2,1-2H3
InChIKeyQHBYQDJVTMTSMR-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine

N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine (PubChem CID 64586441) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
PubChem CID64586441
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
SMILESCCC(Cc1nccc(C(F)(F)F)n1)NC
InChIInChI=1S/C10H14F3N3/c1-3-7(14-2)6-9-15-5-4-8(16-9)10(11,12)13/h4-5,7,14H,3,6H2,1-2H3
InChIKeyQHBYQDJVTMTSMR-UHFFFAOYSA-N
XLogP2.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine (CID 64586441) is N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine is CCC(Cc1nccc(C(F)(F)F)n1)NC.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
The InChIKey is QHBYQDJVTMTSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-3-7(14-2)6-9-15-5-4-8(16-9)10(11,12)13/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine is sourced from PubChem (CID 64586441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).