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

C16H22BrN3O — CID 66297944

IUPAC5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)o2)nc(C(C)C)c1Br
InChIInChI=1S/C16H22BrN3O/c1-5-9-18-16-13(17)14(10(3)4)19-15(20-16)12-8-7-11(6-2)21-12/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeySDOAXYPNDKREHF-UHFFFAOYSA-N
MW352.28 g/mol
LogP5.01
Rot. Bonds6

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

5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66297944) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66297944
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)o2)nc(C(C)C)c1Br
InChIInChI=1S/C16H22BrN3O/c1-5-9-18-16-13(17)14(10(3)4)19-15(20-16)12-8-7-11(6-2)21-12/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeySDOAXYPNDKREHF-UHFFFAOYSA-N
XLogP5.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66296402
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298546
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297560
5-ethyl-2-(5-ethylfuran-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 63479307
5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine
CID 66298069
5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66301103
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
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66297356
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66297944) is 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(CC)o2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is SDOAXYPNDKREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-9-18-16-13(17)14(10(3)4)19-15(20-16)12-8-7-11(6-2)21-12/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 352.28 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66297944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).