5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine

C14H14Br2FN3 — CID 82800970

IUPAC5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(F)c(Br)c2)nc(NC)c1Br
InChIInChI=1S/C14H14Br2FN3/c1-3-4-11-12(16)14(18-2)20-13(19-11)8-5-6-10(17)9(15)7-8/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyADAXEKLOWZAJTG-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.80
Rot. Bonds4

About 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 82800970) has the molecular formula C14H14Br2FN3 and a molecular weight of 403.09 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID82800970
Molecular FormulaC14H14Br2FN3
Molecular Weight403.09 g/mol
Exact Mass400.95
IUPAC Name5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(F)c(Br)c2)nc(NC)c1Br
InChIInChI=1S/C14H14Br2FN3/c1-3-4-11-12(16)14(18-2)20-13(19-11)8-5-6-10(17)9(15)7-8/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyADAXEKLOWZAJTG-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine (CID 82800970) is 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(F)c(Br)c2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is ADAXEKLOWZAJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FN3/c1-3-4-11-12(16)14(18-2)20-13(19-11)8-5-6-10(17)9(15)7-8/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 403.09 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 82800970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).