5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine

C12H18F3N3 — CID 113327036

IUPAC5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccncn1
InChIInChI=1S/C12H18F3N3/c1-2-7-17-10(4-3-6-12(13,14)15)11-5-8-16-9-18-11/h5,8-10,17H,2-4,6-7H2,1H3
InChIKeyCQSPOXKKNLJZEK-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.25
Rot. Bonds7

About 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine

5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine (PubChem CID 113327036) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
PubChem CID113327036
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccncn1
InChIInChI=1S/C12H18F3N3/c1-2-7-17-10(4-3-6-12(13,14)15)11-5-8-16-9-18-11/h5,8-10,17H,2-4,6-7H2,1H3
InChIKeyCQSPOXKKNLJZEK-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 63988767
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63988984
N-[2-(5-bromothiophen-2-yl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989185
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63987510

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine (CID 113327036) is 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1ccncn1.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
The InChIKey is CQSPOXKKNLJZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-7-17-10(4-3-6-12(13,14)15)11-5-8-16-9-18-11/h5,8-10,17H,2-4,6-7H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine is sourced from PubChem (CID 113327036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).