5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine

C14H9Br2N3O — CID 106889232

IUPAC5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2occc2Br)nc(-c2ccccc2)c1Br
InChIInChI=1S/C14H9Br2N3O/c15-9-6-7-20-12(9)14-18-11(10(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)
InChIKeyNRFVQEBKHDLPBL-UHFFFAOYSA-N
MW395.05 g/mol
LogP4.51
Rot. Bonds2

About 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine

5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine (PubChem CID 106889232) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine
PubChem CID106889232
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2occc2Br)nc(-c2ccccc2)c1Br
InChIInChI=1S/C14H9Br2N3O/c15-9-6-7-20-12(9)14-18-11(10(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)
InChIKeyNRFVQEBKHDLPBL-UHFFFAOYSA-N
XLogP4.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
CID 66302594
5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine
CID 115528465
5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
CID 66291892
5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine
CID 79713719
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
6-(3-bromofuran-2-yl)-3,5-dichloropyridin-2-amine
CID 102753401
3-bromo-2-(3-bromofuran-2-yl)furan
CID 626140
6-(3-bromofuran-2-yl)pyridin-2-amine
CID 63948795
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
CID 104846802
5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 66294315
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine (CID 106889232) is 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine is Nc1nc(-c2occc2Br)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is NRFVQEBKHDLPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-9-6-7-20-12(9)14-18-11(10(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19).
What are the key properties of 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine?
5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 395.05 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 106889232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).