N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine

C11H16F3N3O — CID 112747543

IUPACN-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cnc(OC)nc1
InChIInChI=1S/C11H16F3N3O/c1-3-15-9(4-5-11(12,13)14)8-6-16-10(18-2)17-7-8/h6-7,9,15H,3-5H2,1-2H3
InChIKeyZSZCUDFHRLDNBE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.48
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine (PubChem CID 112747543) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine
PubChem CID112747543
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cnc(OC)nc1
InChIInChI=1S/C11H16F3N3O/c1-3-15-9(4-5-11(12,13)14)8-6-16-10(18-2)17-7-8/h6-7,9,15H,3-5H2,1-2H3
InChIKeyZSZCUDFHRLDNBE-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
5-Butyl-2-pyrimidinamine
CID 45071698
2-Ethoxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine
CID 86220867
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-5-propylpyrimidin-2-amine
CID 129619757
N'-[1-(2-fluoropyrimidin-5-yl)ethyl]ethane-1,2-diamine
CID 21697978
4-trifluoromethyl-5-[1-(N-methylamino)-2-methylpropyl]pyrimidine
CID 22648743
5-(3-Fluoropiperidin-2-yl)pyrimidine-2,4-diamine
CID 53931019
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine
CID 58228274
5-(2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl)-N,N-dimethylpyrimidin-2-amine
CID 58228489
5-(3-Methylbutyl)-2-(trifluoromethyl)pyrimidine
CID 58449999
1-[2-(2,2,2-Trifluoroethoxy)pyrimidin-5-yl]ethanamine
CID 58629018
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)pyrimidine
CID 59539527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine (CID 112747543) is N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine is CCNC(CCC(F)(F)F)c1cnc(OC)nc1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine?
The InChIKey is ZSZCUDFHRLDNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-15-9(4-5-11(12,13)14)8-6-16-10(18-2)17-7-8/h6-7,9,15H,3-5H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(2-methoxypyrimidin-5-yl)butan-1-amine is sourced from PubChem (CID 112747543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).