5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C14H18BrN3O — CID 66298546

IUPAC5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccco2)nc(C(C)C)c1Br
InChIInChI=1S/C14H18BrN3O/c1-4-7-16-14-11(15)12(9(2)3)17-13(18-14)10-6-5-8-19-10/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyWGEGIEJOKMWHSZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.44
Rot. Bonds5

About 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66298546) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66298546
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccco2)nc(C(C)C)c1Br
InChIInChI=1S/C14H18BrN3O/c1-4-7-16-14-11(15)12(9(2)3)17-13(18-14)10-6-5-8-19-10/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyWGEGIEJOKMWHSZ-UHFFFAOYSA-N
XLogP4.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297944
5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66301103
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297560
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713731
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297751
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
10-(furan-2-yl)-N-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63486599
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
2-(furan-2-yl)-6-phenyl-N-propylpyrimidin-4-amine
CID 63485214
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66298546) is 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccco2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is WGEGIEJOKMWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-4-7-16-14-11(15)12(9(2)3)17-13(18-14)10-6-5-8-19-10/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 324.22 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66298546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).