4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C12H10F3N3O — CID 677056

IUPAC4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(OCC(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-19-10-6-9(17-11(16)18-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,17,18)
InChIKeyYGHNTWHNXRLIQY-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.67
Rot. Bonds3

About 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 677056) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID677056
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(OCC(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-19-10-6-9(17-11(16)18-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,17,18)
InChIKeyYGHNTWHNXRLIQY-UHFFFAOYSA-N
XLogP2.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6433114
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4-[2-Chloro-6-(4,4,4-Trifluorobutoxy)phenyl]-6-Methylpyrimidin-2-Amine
CID 51049656
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6-(5-Phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
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5-(2,2,2-Trifluoroethoxy)quinazoline-2,4-diamine
CID 461904
2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475000
2,6-Diamino-4-(benzyloxy)pyrimidine
CID 10130617
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 677056) is 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is Nc1nc(OCC(F)(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is YGHNTWHNXRLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)7-19-10-6-9(17-11(16)18-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,17,18).
What are the key properties of 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 269.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 677056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).