5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

C13H16BrN3O — CID 104806896

IUPAC5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1ccoc1-c1nc(N)c(Br)c(CC(C)C)n1
InChIInChI=1S/C13H16BrN3O/c1-7(2)6-9-10(14)12(15)17-13(16-9)11-8(3)4-5-18-11/h4-5,7H,6H2,1-3H3,(H2,15,16,17)
InChIKeyHGQVZNDGVYMKBW-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 104806896) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID104806896
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1ccoc1-c1nc(N)c(Br)c(CC(C)C)n1
InChIInChI=1S/C13H16BrN3O/c1-7(2)6-9-10(14)12(15)17-13(16-9)11-8(3)4-5-18-11/h4-5,7H,6H2,1-3H3,(H2,15,16,17)
InChIKeyHGQVZNDGVYMKBW-UHFFFAOYSA-N
XLogP3.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806840
5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113455467
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136741734
2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806532
1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine
CID 104807260
2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 106889288
ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372592
6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806564
2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 105410505
2,4-dibromo-6-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798121

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 104806896) is 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine is Cc1ccoc1-c1nc(N)c(Br)c(CC(C)C)n1.
What is the InChIKey of 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is HGQVZNDGVYMKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-7(2)6-9-10(14)12(15)17-13(16-9)11-8(3)4-5-18-11/h4-5,7H,6H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 3.59, 3 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-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 104806896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).