N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C16H12F4N4O — CID 167025416

IUPACN-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCc3cccc(F)c3)nc2C(F)(F)F)on1
InChIInChI=1S/C16H12F4N4O/c1-9-5-13(25-24-9)12-8-22-15(23-14(12)16(18,19)20)21-7-10-3-2-4-11(17)6-10/h2-6,8H,7H2,1H3,(H,21,22,23)
InChIKeyHGNFTQUZATYIKP-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.21
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine

N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167025416) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167025416
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCc3cccc(F)c3)nc2C(F)(F)F)on1
InChIInChI=1S/C16H12F4N4O/c1-9-5-13(25-24-9)12-8-22-15(23-14(12)16(18,19)20)21-7-10-3-2-4-11(17)6-10/h2-6,8H,7H2,1H3,(H,21,22,23)
InChIKeyHGNFTQUZATYIKP-UHFFFAOYSA-N
XLogP4.21
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
CID 95801289
4-[[[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]amino]methyl]benzonitrile
CID 163507989
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678194
3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089
5-bromo-4-N-[(3-fluorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80772365
N-[(3-fluorophenyl)methyl]-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998054
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
5-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 95800663
5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine
CID 133423753
5-(2,4-difluorophenyl)-3-methyl-1,2-oxazole
CID 116868938
5-(2,5-difluorophenyl)-3-methyl-1,2-oxazole
CID 116868922

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 167025416) is N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2C(F)(F)F)on1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HGNFTQUZATYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c1-9-5-13(25-24-9)12-8-22-15(23-14(12)16(18,19)20)21-7-10-3-2-4-11(17)6-10/h2-6,8H,7H2,1H3,(H,21,22,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 352.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167025416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).