2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

C15H20BrN3O — CID 106889292

IUPAC2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2occc2Br)n1
InChIInChI=1S/C15H20BrN3O/c1-4-6-17-13-9-11(8-10(2)3)18-15(19-13)14-12(16)5-7-20-14/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,18,19)
InChIKeyFVEXWFVEZHEMJQ-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.52
Rot. Bonds6

About 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 106889292) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID106889292
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2occc2Br)n1
InChIInChI=1S/C15H20BrN3O/c1-4-6-17-13-9-11(8-10(2)3)18-15(19-13)14-12(16)5-7-20-14/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,18,19)
InChIKeyFVEXWFVEZHEMJQ-UHFFFAOYSA-N
XLogP4.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
CID 106889197
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 102844107
N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104790727
2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 106889288
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 107125389
2-(3-bromo-4-fluorophenyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 82787744
2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66158760
2-(2-ethoxyethyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106815334
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107504381

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 106889292) is 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1cc(CC(C)C)nc(-c2occc2Br)n1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is FVEXWFVEZHEMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-6-17-13-9-11(8-10(2)3)18-15(19-13)14-12(16)5-7-20-14/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 338.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106889292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).