2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine

C14H13BrF3N3 — CID 63486444

IUPAC2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C14H13BrF3N3/c1-2-3-9-7-12(19)21-13(20-9)10-5-4-8(15)6-11(10)14(16,17)18/h4-7H,2-3H2,1H3,(H2,19,20,21)
InChIKeyVORCFTVQNKAOEG-UHFFFAOYSA-N
MW360.18 g/mol
LogP4.46
Rot. Bonds3

About 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine

2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine (PubChem CID 63486444) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine
PubChem CID63486444
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C14H13BrF3N3/c1-2-3-9-7-12(19)21-13(20-9)10-5-4-8(15)6-11(10)14(16,17)18/h4-7H,2-3H2,1H3,(H2,19,20,21)
InChIKeyVORCFTVQNKAOEG-UHFFFAOYSA-N
XLogP4.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
CID 63868448
2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine
CID 63611310
6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202462
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867894
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62749509
2-(2-methoxy-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 106793002
2-[4-bromo-2-(trifluoromethyl)phenyl]-4-(chloromethyl)pyrimidine
CID 62746869
2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62201749
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62689493
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 62929662
2-(2,6-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62202996

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine (CID 63486444) is 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(-c2ccc(Br)cc2C(F)(F)F)n1.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine?
The InChIKey is VORCFTVQNKAOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c1-2-3-9-7-12(19)21-13(20-9)10-5-4-8(15)6-11(10)14(16,17)18/h4-7H,2-3H2,1H3,(H2,19,20,21).
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine?
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine has a molecular weight of 360.18 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63486444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).