6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C19H15BrF3N3O — CID 59788225

IUPAC6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1ccc(Br)cc1-c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C19H15BrF3N3O/c1-27-10-12-2-5-14(20)8-16(12)17-9-18(25-11-24-17)26-15-6-3-13(4-7-15)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,26)
InChIKeyYCODPGSAAABEAV-UHFFFAOYSA-N
MW438.25 g/mol
LogP5.81
Rot. Bonds5

About 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 59788225) has the molecular formula C19H15BrF3N3O and a molecular weight of 438.25 g/mol. Its IUPAC name is 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID59788225
Molecular FormulaC19H15BrF3N3O
Molecular Weight438.25 g/mol
Exact Mass437.04
IUPAC Name6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1ccc(Br)cc1-c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C19H15BrF3N3O/c1-27-10-12-2-5-14(20)8-16(12)17-9-18(25-11-24-17)26-15-6-3-13(4-7-15)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,26)
InChIKeyYCODPGSAAABEAV-UHFFFAOYSA-N
XLogP5.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.25
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 59788225) is 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is COCc1ccc(Br)cc1-c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is YCODPGSAAABEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N3O/c1-27-10-12-2-5-14(20)8-16(12)17-9-18(25-11-24-17)26-15-6-3-13(4-7-15)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,26).
What are the key properties of 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 438.25 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-bromo-2-(methoxymethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 59788225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).