2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

C8H10F3N3O — CID 116798000

IUPAC2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESNc1ccnc(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)3-1-5-15-7-13-4-2-6(12)14-7/h2,4H,1,3,5H2,(H2,12,13,14)
InChIKeyZJTQHRDBBXRFOD-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.78
Rot. Bonds4

About 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (PubChem CID 116798000) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
PubChem CID116798000
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESNc1ccnc(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)3-1-5-15-7-13-4-2-6(12)14-7/h2,4H,1,3,5H2,(H2,12,13,14)
InChIKeyZJTQHRDBBXRFOD-UHFFFAOYSA-N
XLogP1.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 116798007
2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 116798022
2-(4,4-dimethylpentoxy)-4-(trifluoromethyl)pyrimidine
CID 59026288
2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 57017014
4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 82788520
O-(4-aminopyrimidin-2-yl)hydroxylamine
CID 138667214
6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
CID 82792739
4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
CID 82795407
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439
4-(4,4,4-trifluorobutoxy)quinolin-8-amine
CID 83060485
6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 82788708
2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82795125

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The IUPAC name of 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (CID 116798000) is 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is Nc1ccnc(OCCCC(F)(F)F)n1.
What is the InChIKey of 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The InChIKey is ZJTQHRDBBXRFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)3-1-5-15-7-13-4-2-6(12)14-7/h2,4H,1,3,5H2,(H2,12,13,14).
What are the key properties of 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine has a molecular weight of 221.18 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is sourced from PubChem (CID 116798000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).