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

C11H12BrN3O — CID 106889197

IUPAC2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2occc2Br)n1
InChIInChI=1S/C11H12BrN3O/c1-2-5-13-9-3-6-14-11(15-9)10-8(12)4-7-16-10/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyKUHMDMCGNLJVEO-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.32
Rot. Bonds4

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

2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 106889197) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
PubChem CID106889197
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2occc2Br)n1
InChIInChI=1S/C11H12BrN3O/c1-2-5-13-9-3-6-14-11(15-9)10-8(12)4-7-16-10/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyKUHMDMCGNLJVEO-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106889292
2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
CID 62202434
2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 62203835
N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557298
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-(5-methylthiophen-2-yl)-N-propylpyrimidin-4-amine
CID 62203140
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine (CID 106889197) is 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2occc2Br)n1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is KUHMDMCGNLJVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-5-13-9-3-6-14-11(15-9)10-8(12)4-7-16-10/h3-4,6-7H,2,5H2,1H3,(H,13,14,15).
What are the key properties of 2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine?
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 282.14 g/mol, XLogP of 3.32, 4 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)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106889197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).