1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone

C12H8F3N3O — CID 15851436

IUPAC1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
SMILESNc1ncc(C(=O)C(F)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)10(19)8-6-17-11(16)18-9(8)7-4-2-1-3-5-7/h1-6H,(H2,16,17,18)
InChIKeyVZVVYSXIAABFEM-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.47
Rot. Bonds2

About 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone

1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone (PubChem CID 15851436) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
PubChem CID15851436
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
SMILESNc1ncc(C(=O)C(F)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)10(19)8-6-17-11(16)18-9(8)7-4-2-1-3-5-7/h1-6H,(H2,16,17,18)
InChIKeyVZVVYSXIAABFEM-UHFFFAOYSA-N
XLogP2.47
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
4-phenylpyrimidine-2,5-diamine
CID 89253384
2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-amino-4-phenylpyrimidine-5-carboxamide
CID 146040090
1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]-2,2,2-trifluoroethanone
CID 59517575
1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone
CID 154708152
(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146044137
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74234846
3-cyano-6-phenyl-5-(2,2,2-trifluoroacetyl)pyridine-2-thiolate
CID 2308468
(2-amino-4-phenylpyrimidin-5-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933
2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide
CID 74244365

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone (CID 15851436) is 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone is Nc1ncc(C(=O)C(F)(F)F)c(-c2ccccc2)n1.
What is the InChIKey of 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is VZVVYSXIAABFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)10(19)8-6-17-11(16)18-9(8)7-4-2-1-3-5-7/h1-6H,(H2,16,17,18).
What are the key properties of 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone?
1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 267.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 15851436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).