5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine

C12H14BrN3O — CID 113455467

IUPAC5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccoc1-c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C12H14BrN3O/c1-6(2)9-8(13)11(14)16-12(15-9)10-7(3)4-5-17-10/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyWYUABGAJUUHUMN-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.51
Rot. Bonds2

About 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 113455467) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID113455467
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccoc1-c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C12H14BrN3O/c1-6(2)9-8(13)11(14)16-12(15-9)10-7(3)4-5-17-10/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyWYUABGAJUUHUMN-UHFFFAOYSA-N
XLogP3.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806896
5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806840
5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66301281
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 81277953
2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806532
5-bromo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297936
5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113472428
5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
CID 66300484
5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66298716
6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine (CID 113455467) is 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine is Cc1ccoc1-c1nc(N)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is WYUABGAJUUHUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-6(2)9-8(13)11(14)16-12(15-9)10-7(3)4-5-17-10/h4-6H,1-3H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 296.17 g/mol, XLogP of 3.51, 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-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113455467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).