N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine

C18H14F3N3O — CID 122206380

IUPACN-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cnc(OCc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-11-22-17(25-12-13-7-3-1-4-8-13)24-16(15)23-14-9-5-2-6-10-14/h1-11H,12H2,(H,22,23,24)
InChIKeyOZVCXGWYYYXQIC-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.82
Rot. Bonds5

About N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine

N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 122206380) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID122206380
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cnc(OCc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-11-22-17(25-12-13-7-3-1-4-8-13)24-16(15)23-14-9-5-2-6-10-14/h1-11H,12H2,(H,22,23,24)
InChIKeyOZVCXGWYYYXQIC-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[4-(2-Cyanoethoxymethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5275828
(16E)-19-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739949
(16E)-14-methyl-19-oxa-5,7,14,23,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739951
(16E)-14,19-dioxa-5,7,23,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16750331
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(S)-5-((2-phenylmorpholino)methyl)-N-p-tolylpyridin-2-amine
CID 24955527
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530274
2-[[2-(4-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530275
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530280
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530284

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine (CID 122206380) is N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cnc(OCc2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OZVCXGWYYYXQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)15-11-22-17(25-12-13-7-3-1-4-8-13)24-16(15)23-14-9-5-2-6-10-14/h1-11H,12H2,(H,22,23,24).
What are the key properties of N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 345.32 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 122206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).