[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone

C20H16F3N3O2 — CID 134539249

IUPAC[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(CNc2ncc(C(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-17-8-2-13(3-9-17)10-24-19-25-11-15(12-26-19)18(27)14-4-6-16(7-5-14)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,24,25,26)
InChIKeyIFUFEYZEFCQDGE-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.35
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone

[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 134539249) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID134539249
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(CNc2ncc(C(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-17-8-2-13(3-9-17)10-24-19-25-11-15(12-26-19)18(27)14-4-6-16(7-5-14)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,24,25,26)
InChIKeyIFUFEYZEFCQDGE-UHFFFAOYSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 134539249) is [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1ccc(CNc2ncc(C(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is IFUFEYZEFCQDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-17-8-2-13(3-9-17)10-24-19-25-11-15(12-26-19)18(27)14-4-6-16(7-5-14)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,24,25,26).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 387.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134539249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).