5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine

C17H22BrN3 — CID 66292295

IUPAC5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc(-c2ccccc2)c1Br
InChIInChI=1S/C17H22BrN3/c1-4-11-19-17-14(18)15(13-9-7-6-8-10-13)20-16(21-17)12(3)5-2/h6-10,12H,4-5,11H2,1-3H3,(H,19,20,21)
InChIKeyGKWAQZUZGAKMEL-UHFFFAOYSA-N
MW348.29 g/mol
LogP5.24
Rot. Bonds6

About 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine

5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine (PubChem CID 66292295) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
PubChem CID66292295
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc(-c2ccccc2)c1Br
InChIInChI=1S/C17H22BrN3/c1-4-11-19-17-14(18)15(13-9-7-6-8-10-13)20-16(21-17)12(3)5-2/h6-10,12H,4-5,11H2,1-3H3,(H,19,20,21)
InChIKeyGKWAQZUZGAKMEL-UHFFFAOYSA-N
XLogP5.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.29
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine (CID 66292295) is 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)CC)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is GKWAQZUZGAKMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-4-11-19-17-14(18)15(13-9-7-6-8-10-13)20-16(21-17)12(3)5-2/h6-10,12H,4-5,11H2,1-3H3,(H,19,20,21).
What are the key properties of 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine?
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 348.29 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66292295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).