5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

C8H9ClF3N3 — CID 105369555

IUPAC5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCNc1ncncc1Cl
InChIInChI=1S/C8H9ClF3N3/c9-6-4-13-5-15-7(6)14-3-1-2-8(10,11)12/h4-5H,1-3H2,(H,13,14,15)
InChIKeyQOWUDCDQSYURRB-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.88
Rot. Bonds4

About 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (PubChem CID 105369555) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
PubChem CID105369555
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCNc1ncncc1Cl
InChIInChI=1S/C8H9ClF3N3/c9-6-4-13-5-15-7(6)14-3-1-2-8(10,11)12/h4-5H,1-3H2,(H,13,14,15)
InChIKeyQOWUDCDQSYURRB-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
6-chloro-5-methyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115521565
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294327
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
3-chloro-5-nitro-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 113245601
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 79566523
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 105369599
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (CID 105369555) is 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is FC(F)(F)CCCNc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The InChIKey is QOWUDCDQSYURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c9-6-4-13-5-15-7(6)14-3-1-2-8(10,11)12/h4-5H,1-3H2,(H,13,14,15).
What are the key properties of 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine has a molecular weight of 239.63 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is sourced from PubChem (CID 105369555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).