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

C6H6F3N3O — CID 66584553

IUPAC4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-13-4-1-2-11-5(10)12-4/h1-2H,3H2,(H2,10,11,12)
InChIKeyCKMGVKJWGNIPMK-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.00
Rot. Bonds2

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

4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 66584553) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID66584553
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-13-4-1-2-11-5(10)12-4/h1-2H,3H2,(H2,10,11,12)
InChIKeyCKMGVKJWGNIPMK-UHFFFAOYSA-N
XLogP1.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethoxypyrimidine
CID 137976
4-Methoxy-2-pyrimidinamine
CID 67428
4-Methoxy-N-methyl-2-pyrimidinamine
CID 23422138
4-Methoxy-2-methylpyrimidine
CID 535905
[1-[(2-Aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol
CID 122536304
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
2-Chloro-4-methoxypyrimidine
CID 588935
2-Fluoro-4-methoxypyrimidine
CID 21791027
Bis-Pro-5FU
CID 155118873
2,4-Diethoxypyrimidine
CID 224854
4-Methoxypyrimidine
CID 303830
Pyrimidine, 2-amino-4-(2-dibutylaminoethoxy)-
CID 3025151

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 66584553) is 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is Nc1nccc(OCC(F)(F)F)n1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is CKMGVKJWGNIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-13-4-1-2-11-5(10)12-4/h1-2H,3H2,(H2,10,11,12).
What are the key properties of 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 193.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 66584553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).